data_1x6g_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 1x6g _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 ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.403 ' CG2' ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' CD2' ' CG2' ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CE3' ' C ' ' A' ' 67' ' ' LEU . 65.2 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG22 ' CG2' ' A' ' 42' ' ' VAL . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' C ' ' CE3' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.41 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 73.2 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 60.4 ttt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 28.3 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 54' ' ' TYR . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLY . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 30.0 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 53' ' ' TRP . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 63.4 ttt-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 19' ' ' GLN . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 18' ' ' THR . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.411 ' N ' ' HB2' ' A' ' 69' ' ' ALA . 90.3 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 42' ' ' VAL . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' N ' ' A' ' 53' ' ' TRP . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 68.9 ttt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 96.4 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.8 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 19' ' ' GLN . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG23 ' A' ' 18' ' ' THR . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 84.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 42' ' ' VAL . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 75.5 ttt-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 75' ' ' ARG . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 42' ' ' VAL . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 69.0 ttt-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' CG2' ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' PHE . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 80.8 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 67.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' ND1' ' HB2' ' A' ' 61' ' ' SER . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 58.5 ttt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 74.7 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 65.5 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG1' ' HB2' ' A' ' 75' ' ' ARG . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.466 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.466 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 61.9 ttt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 42' ' ' VAL . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 18.0 mm-40 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CD1' HG22 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 84.0 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 19' ' ' GLN . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' HG23 ' A' ' 18' ' ' THR . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.48 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.452 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 54.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' HB ' ' CG ' ' A' ' 73' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 21' ' ' ILE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.6 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.3 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 59.2 ttt-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.415 ' SG ' ' CG2' ' A' ' 42' ' ' VAL . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.504 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 24.8 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 70.8 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.411 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' HIS . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 42' ' ' VAL . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 42' ' ' VAL . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.514 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.2 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.5 ttt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 83.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.407 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 26.4 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 19' ' ' GLN . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 18' ' ' THR . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 ' CD1' HG13 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 71.8 ttt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.92 130.6 12.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.731 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.24 155.84 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.79 99.58 2.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -123.88 102.36 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.07 -63.66 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.8 -93.0 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 145.6 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 151.55 59.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.25 27.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -132.11 145.56 51.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -145.04 -58.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -73.95 173.43 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -77.49 155.45 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' CG2' ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' CD2' ' CG2' ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.17 -179.3 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.09 145.21 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.4 p -44.72 148.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.4 34.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 66' ' ' LEU . 8.9 m-20 -144.42 18.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt 65.9 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.564 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 10.1 m 62.69 60.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 52' ' ' SER . 65.2 m95 -164.86 131.78 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG22 ' CG2' ' A' ' 42' ' ' VAL . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD11 ' ND2' ' A' ' 50' ' ' ASN . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' C ' ' CE3' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -42.7 107.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.91 82.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.8 159.02 17.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.12 151.27 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.57 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -102.44 120.48 40.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -42.16 102.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 -176.41 27.04 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -56.2 169.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.21 -58.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -117.93 5.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 45.45 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.45 146.45 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.5 10.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -143.62 110.27 5.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 58.53 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -65.97 153.76 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -147.71 131.98 17.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -89.36 149.34 23.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER 87.07 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 27.0 mp0 -145.46 60.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 1.6 t-20 81.49 21.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.46 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 2.4 t 46.63 45.35 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' CG ' ' O ' ' A' ' 52' ' ' SER . 73.2 m95 -163.3 141.72 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 60.4 ttt180 -46.96 -66.95 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.05 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.86 157.65 23.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.11 13.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.2 t 47.59 85.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 114.75 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -104.08 137.72 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -91.0 95.04 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.61 86.37 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -92.35 128.98 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -86.72 90.51 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.29 97.0 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.75 -55.92 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 150.12 11.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.5 5.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.6 m -78.9 127.4 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.03 135.69 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -162.98 -174.7 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -72.63 138.87 47.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.01 135.57 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.8 111.13 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 179.79 172.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 107.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 71.81 123.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.05 49.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 t -174.78 42.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -159.74 151.98 20.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CD2' ' HB2' ' A' ' 69' ' ' ALA . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 28.3 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 54' ' ' TYR . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.4 ttt180 -51.59 -55.89 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 p 44.14 74.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.48 157.01 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.56 16.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.66 167.53 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -53.77 153.43 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -86.31 115.99 24.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.044 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.88 160.41 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.1 -139.01 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.88 108.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.79 117.86 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.65 -120.52 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 164.11 28.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptm -168.54 145.74 3.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -103.75 64.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -118.6 172.85 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 59.18 170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -83.53 130.69 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLY . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.87 163.25 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.25 137.07 52.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.34 159.81 22.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 119.26 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.89 -41.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 66.49 26.91 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -154.96 24.85 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 -162.3 149.51 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 30.0 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 53' ' ' TRP . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 63.4 ttt-85 -50.45 129.95 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -172.02 133.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.45 -172.41 23.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 75.71 3.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -43.2 162.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -121.1 139.49 53.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.59 165.9 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -82.64 93.22 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.42 67.13 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 163.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.38 133.87 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.99 126.76 29.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mtt -148.32 151.69 37.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -132.21 144.7 50.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -138.57 83.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -138.76 162.58 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -73.83 157.87 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 19' ' ' GLN . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 18' ' ' THR . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -148.04 162.34 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.95 137.15 52.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.91 156.74 26.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.43 111.31 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 176.94 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.57 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -150.89 22.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 52' ' ' SER . 90.3 m95 -165.1 149.47 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 42' ' ' VAL . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.52 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB2' ' N ' ' A' ' 53' ' ' TRP . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 68.9 ttt180 -39.8 136.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 146.49 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -164.63 1.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 79.13 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.7 t -162.55 124.54 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 m -119.15 -58.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -145.98 138.78 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.96 135.36 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.89 94.99 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.4 -58.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 65.76 121.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 128.95 3.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -59.95 106.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 157.24 34.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -56.84 -65.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.48 -53.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 172.65 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.72 164.92 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLY . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -148.11 122.95 9.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -94.66 154.56 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 1.9 t 88.35 78.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -169.92 122.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 2.5 m120 63.02 99.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' SER . 4.3 mmmt -40.14 107.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.546 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.4 t 85.47 51.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' SER . 96.4 m95 -163.47 149.71 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 108.02 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.456 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.8 ttt180 -44.37 115.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m 63.52 111.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.69 170.7 43.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.84 121.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.53 90.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.75 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.58 122.68 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 -142.3 16.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -140.74 119.67 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -132.37 128.24 37.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.89 -161.35 20.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 48.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -68.34 -51.62 23.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.02 149.9 37.26 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -98.67 127.27 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -39.27 134.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.29 -176.87 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -62.02 136.21 57.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 107.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 19' ' ' GLN . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' N ' HG23 ' A' ' 18' ' ' THR . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' HG23 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 118.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.54 127.69 0.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.76 -50.09 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 21.0 m120 52.24 27.51 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt 66.09 54.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m 70.56 52.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 84.6 m95 -146.57 149.34 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 42' ' ' VAL . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 75.5 ttt-85 -38.8 146.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.7 m 60.53 74.3 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.26 -164.9 32.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.55 164.98 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -139.94 113.76 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 62.62 159.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 79.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.34 -178.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -163.09 -58.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.75 122.92 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 -117.15 0.05 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.76 97.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 151.64 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.1 4.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 16.0 m -153.18 139.66 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 11' ' ' THR . 1.2 ttm-85 77.19 165.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.06 170.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -76.79 152.38 35.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 75' ' ' ARG . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -148.05 159.85 43.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.42 136.14 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.81 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.53 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 179.11 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 66.72 24.7 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.33 22.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -159.58 147.8 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 42' ' ' VAL . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' CD1' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 69.0 ttt-85 -38.8 -52.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.73 134.91 33.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.1 178.72 31.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 83.46 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.18 163.42 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 23.28 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -123.17 151.74 41.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.83 128.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -64.74 119.58 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -129.97 122.07 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.09 -108.73 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER 66.2 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.257 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 164.38 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.97 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -93.69 133.5 36.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -58.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -84.71 171.92 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -69.71 156.8 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' CG2' ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' PHE . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.04 125.45 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.26 119.47 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -165.54 129.27 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.362 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -51.91 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 45.1 m-20 46.92 30.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.35 52.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 46.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 80.8 m95 -138.06 145.16 41.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' GLY . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 67.5 ttt180 -46.14 128.94 9.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 -52.59 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.23 -162.2 15.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.84 155.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.31 -59.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -144.83 169.95 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.89 119.33 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.26 -133.1 7.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -140.22 122.56 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.87 155.07 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.91 118.15 0.44 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -64.09 141.23 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.4 mtp -139.58 151.92 67.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.93 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.3 m -115.53 162.37 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -154.62 173.89 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' CD ' ' OH ' ' A' ' 54' ' ' TYR . 2.6 mmt180 58.57 170.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -84.2 140.2 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HG13 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -139.03 123.72 18.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -97.55 149.39 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m 84.71 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.96 24.3 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.36 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.14 14.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 p -169.93 32.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.7 m95 -164.02 154.2 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' OH ' ' CD ' ' A' ' 13' ' ' ARG . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' ND1' ' HB2' ' A' ' 61' ' ' SER . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 58.5 ttt85 -46.61 134.05 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.3 t -88.47 96.03 10.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.14 -162.26 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.92 165.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.1 p -122.81 159.01 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -61.59 135.55 57.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -118.55 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -137.99 3.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -169.29 123.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.33 131.86 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.81 97.15 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.47 84.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.493 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.64 -51.79 8.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.4 Cg_endo -75.04 127.34 10.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -160.99 133.6 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.27 108.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 52.97 179.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -81.03 159.13 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.451 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.8 108.01 18.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.51 165.44 35.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.66 146.59 31.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 11.3 m120 -165.32 32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt 69.73 50.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.99 49.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.437 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 74.7 m95 -137.64 147.7 45.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 65.5 ttt180 -40.45 -56.41 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.09 111.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.96 162.98 29.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 82.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.02 91.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -175.62 87.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -167.81 109.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.98 157.47 29.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.89 167.14 21.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 0.795 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.78 85.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 79.89 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -140.51 140.89 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mtt -99.99 152.65 37.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -60.11 -60.29 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.53 -59.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -89.33 147.09 24.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG1' ' HB2' ' A' ' 75' ' ' ARG . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.84 139.78 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.3 116.84 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t 67.02 120.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.74 60.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 166.81 -72.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.3 mmtt 164.46 71.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 82.78 48.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -142.53 174.23 10.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.466 ' CE1' ' HB ' ' A' ' 60' ' ' THR . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.466 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.452 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 61.9 ttt85 -38.85 129.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.13 -58.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.88 -159.65 28.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -62.26 168.62 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 t -148.54 142.18 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -49.04 -58.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.13 92.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.37 -62.06 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -71.01 136.86 48.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -117.13 108.25 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.26 87.47 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.27 132.74 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.8 151.73 74.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 m -126.49 85.19 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 158.43 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 58.52 173.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -63.16 156.86 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.43 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.01 179.69 7.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.9 156.51 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.365 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 p -42.14 143.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.86 50.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' CG ' ' A' ' 51' ' ' LYS . 1.4 m-20 -162.25 -74.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' CG ' ' C ' ' A' ' 50' ' ' ASN . 12.7 mttm -150.31 -76.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.85 49.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 -126.59 167.99 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 42' ' ' VAL . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 63' ' ' GLN . 18.0 mm-40 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 HD21 ' CZ ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' CB ' ' HB1' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' HB1' ' CB ' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.4 ttt180 -42.68 118.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.7 p -127.37 103.15 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.74 169.38 25.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -170.66 87.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 t 62.09 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 161.07 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.67 159.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 99.24 1.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -134.07 128.51 34.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p 43.54 84.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.48 -138.77 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 117.83 22.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.492 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 168.02 -53.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.01 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -86.65 140.08 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -51.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -123.02 170.01 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -72.42 153.65 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CD1' HG22 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.43 130.39 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -81.07 138.48 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.6 t 87.06 142.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -155.4 -73.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.07 -54.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -167.87 -55.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 21.0 m -131.45 67.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 52' ' ' SER . 84.0 m95 -155.17 161.04 41.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 42' ' ' VAL . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -38.65 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m 61.07 120.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.85 171.76 11.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.6 p -133.58 149.52 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -98.32 93.97 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 167.45 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -129.15 128.68 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.7 132.35 11.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.12 147.56 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.63 144.31 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 -118.85 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 62.28 90.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.3 150.03 0.7 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.3 p -136.82 132.96 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -53.8 160.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 70.33 -178.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -87.65 165.99 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 19' ' ' GLN . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' HG23 ' A' ' 18' ' ' THR . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -137.54 130.85 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.98 111.76 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.2 t 172.53 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 108.332 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.11 -79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' CYS . 3.7 t-20 174.97 42.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.7 mttt 44.99 72.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 162.76 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -124.0 164.4 19.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLY . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.452 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 54.9 ttt180 -52.07 112.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.6 p -96.46 140.84 30.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.31 -168.48 36.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.85 38.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 106.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -123.99 94.04 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 57.47 170.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.24 -59.36 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 -171.26 27.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.06 91.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -56.51 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.03 160.69 36.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -157.8 118.94 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.94 162.89 18.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -113.63 153.89 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 -59.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 157.29 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -77.64 131.69 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.049 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' HB ' ' CG ' ' A' ' 73' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 21' ' ' ILE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.93 178.75 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.87 25.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 28.4 p -41.99 136.75 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -123.34 51.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.51 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -171.9 -62.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 163.7 -55.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -122.3 49.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 92.6 m95 -151.05 151.04 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.3 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 59.2 ttt-85 -51.04 143.81 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.2 m -148.87 151.13 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 154.73 32.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 178.97 6.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m 59.12 112.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.47 120.51 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -144.83 142.19 29.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 -58.62 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.63 157.6 0.39 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -149.48 112.33 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -111.08 116.45 31.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.25 152.58 40.64 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 95.13 7.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 147.94 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.67 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -116.95 142.58 46.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.39 125.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -143.48 177.95 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -80.18 144.37 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.415 ' SG ' ' CG2' ' A' ' 42' ' ' VAL . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 75' ' ' ARG . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' VAL . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -140.18 158.45 44.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.32 111.16 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 61.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.94 108.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -105.53 -61.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 30.7 mtpt -141.62 55.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 m 66.34 58.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 -143.25 156.35 44.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.504 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 24.8 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 70.8 ttt180 -43.61 141.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -70.45 119.13 14.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.93 -155.12 11.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 153.72 22.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -152.82 101.68 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -170.57 162.93 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.91 70.56 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.58 127.01 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -178.39 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 108.19 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.46 84.88 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.743 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -64.06 -51.75 60.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.999 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.99 147.65 34.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m 43.44 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.72 113.36 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.27 -178.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -66.09 137.1 56.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' HIS . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 42' ' ' VAL . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -145.67 162.47 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.69 112.31 24.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.98 137.46 13.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -49.23 -49.97 40.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 49.48 28.68 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.3 mttm 74.19 35.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 82.32 49.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 -140.72 159.92 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 108.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 42' ' ' VAL . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.514 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.2 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 56.5 ttt85 -39.49 -59.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -50.78 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.48 -158.01 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.76 38.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -113.07 -57.55 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.49 128.13 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -175.62 161.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 158.68 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 -160.39 10.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 89.88 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -112.97 79.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.06 140.69 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.95 106.1 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.34 72.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.74 34.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 t -79.31 123.82 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -114.66 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -82.75 -174.86 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.26 164.16 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 HD12 ' CG1' ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.76 123.03 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -85.95 159.94 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER 88.09 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 108.302 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.2 123.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 63.62 104.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -49.79 124.11 9.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.544 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER 65.94 64.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 52' ' ' SER . 83.1 m95 -166.33 134.0 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 107.957 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 42' ' ' VAL . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.407 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 26.4 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -44.05 126.06 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 m -134.84 -54.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.04 165.15 54.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 144.84 30.6 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.95 103.88 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -59.48 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m -55.76 124.12 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m 62.24 82.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.66 -114.85 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -90.37 116.34 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -103.15 108.61 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.03 -176.17 32.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.41 126.99 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ptp -49.57 153.04 2.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 170.96 19.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.6 m -98.86 84.47 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.38 146.59 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 4.3 mpp_? -80.61 -5.89 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 7.2 m0 -163.71 161.57 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 19' ' ' GLN . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 18' ' ' THR . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' HB ' ' CD ' ' A' ' 73' ' ' ARG . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 ' CD1' HG13 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.0 125.47 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.42 166.72 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.0 m 66.43 -175.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 79.5 57.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 165.97 -69.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.6 mttt 164.17 -81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.16 49.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 -132.42 162.97 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' GLY . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.423 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 21' ' ' ILE . 71.8 ttt180 -42.8 145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.96 -52.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.02 163.84 25.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 151.48 39.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.4 140.76 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -57.08 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.678 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.724 HG21 ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.724 ' CD2' HG21 ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.698 HG21 HG21 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CE3' ' C ' ' A' ' 67' ' ' LEU . 65.2 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.709 ' HB2' HD21 ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 45' ' ' LEU . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 67' ' ' LEU . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 21' ' ' ILE . 59.0 ttt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 21' ' ' ILE . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.489 HG21 ' CD1' ' A' ' 36' ' ' PHE . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 58' ' ' HIS . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.41 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 73.2 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HG2' HD11 ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 67' ' ' LEU . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.638 ' HB2' HD11 ' A' ' 21' ' ' ILE . 60.4 ttt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 21' ' ' ILE . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 36' ' ' PHE . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' HG21 ' A' ' 22' ' ' THR . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG21 HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.742 HD13 HG12 ' A' ' 56' ' ' VAL . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.88 ' HB2' HD11 ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.727 ' HG2' HD11 ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 67' ' ' LEU . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 21' ' ' ILE . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.759 ' CE2' HD21 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 20' ' ' CYS . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 56' ' ' VAL . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' A' ' 57' ' ' LYS . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' LEU . 12.5 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.65 ' HG2' HD11 ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 67' ' ' LEU . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 63.4 ttt-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.682 ' C ' HD13 ' A' ' 21' ' ' ILE . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.545 HG21 ' CD1' ' A' ' 36' ' ' PHE . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 22' ' ' THR . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.603 HD13 HG12 ' A' ' 56' ' ' VAL . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.3 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.695 ' CG2' HD12 ' A' ' 67' ' ' LEU . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.828 ' HB2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.636 ' HB2' HD11 ' A' ' 21' ' ' ILE . 68.9 ttt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.838 ' O ' HD13 ' A' ' 21' ' ' ILE . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 36' ' ' PHE . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 22' ' ' THR . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.95 HD13 HG12 ' A' ' 56' ' ' VAL . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD11 ' HB2' ' A' ' 57' ' ' LYS . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 96.4 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.95 HG12 HD13 ' A' ' 44' ' ' ILE . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.8 ' HB2' HD11 ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' HA ' HG12 ' A' ' 42' ' ' VAL . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.707 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.8 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' C ' HD13 ' A' ' 21' ' ' ILE . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.638 HD13 ' C ' ' A' ' 20' ' ' CYS . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 36' ' ' PHE . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.632 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 22' ' ' THR . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 56' ' ' VAL . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.821 HD11 ' HG2' ' A' ' 64' ' ' GLU . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 84.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 44' ' ' ILE . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' HA ' HG12 ' A' ' 42' ' ' VAL . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.821 ' HG2' HD11 ' A' ' 45' ' ' LEU . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' ILE . 75.5 ttt-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 35' ' ' ALA . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.723 HD13 HG12 ' A' ' 56' ' ' VAL . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD11 ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.723 HG12 HD13 ' A' ' 44' ' ' ILE . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 45' ' ' LEU . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.519 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.76 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB2' HD11 ' A' ' 21' ' ' ILE . 69.0 ttt-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.601 ' C ' HD13 ' A' ' 21' ' ' ILE . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.603 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.77 ' CD2' HG21 ' A' ' 22' ' ' THR . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 58' ' ' HIS . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 57' ' ' LYS . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 80.8 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HA ' HG12 ' A' ' 42' ' ' VAL . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.784 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 67.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.882 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' CYS . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.501 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 35' ' ' ALA . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.954 HD13 HG12 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.707 HD13 ' OE1' ' A' ' 64' ' ' GLU . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.954 HG12 HD13 ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HB2' HD21 ' A' ' 45' ' ' LEU . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' HA ' HG12 ' A' ' 42' ' ' VAL . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.707 ' OE1' HD13 ' A' ' 45' ' ' LEU . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 67' ' ' LEU . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.637 ' HB2' HD11 ' A' ' 21' ' ' ILE . 58.5 ttt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' CYS . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' PHE . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 22' ' ' THR . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.832 HD13 HG12 ' A' ' 56' ' ' VAL . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 74.7 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 45' ' ' LEU . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 67' ' ' LEU . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 21' ' ' ILE . 65.5 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.699 ' O ' HD13 ' A' ' 21' ' ' ILE . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 36' ' ' PHE . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.495 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD13 HG12 ' A' ' 56' ' ' VAL . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 57' ' ' LYS . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG2' HD12 ' A' ' 45' ' ' LEU . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.825 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.524 ' HA ' HG12 ' A' ' 42' ' ' VAL . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.869 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.869 HD21 HD13 ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.609 ' HB2' HD11 ' A' ' 21' ' ' ILE . 61.9 ttt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.746 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 75' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 36' ' ' PHE . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.809 HD13 HG12 ' A' ' 56' ' ' VAL . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 57' ' ' LYS . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 67' ' ' LEU . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.753 ' HB2' HD21 ' A' ' 45' ' ' LEU . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.594 ' HB2' HD13 ' A' ' 34' ' ' LEU . 4.6 mm100 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD21 HD13 ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.632 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.684 ' O ' HD13 ' A' ' 21' ' ' ILE . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 57' ' ' LYS . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 84.0 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.696 ' HB2' HD21 ' A' ' 45' ' ' LEU . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.801 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 67' ' ' LEU . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.8 ' O ' HD13 ' A' ' 21' ' ' ILE . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA2' HG22 ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' SG ' ' A' ' 20' ' ' CYS . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.936 HD13 HG12 ' A' ' 56' ' ' VAL . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 75.5 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.936 HG12 HD13 ' A' ' 44' ' ' ILE . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.739 ' HG2' HD11 ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.671 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 75' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.675 HG21 ' CD1' ' A' ' 36' ' ' PHE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.553 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.553 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CD1' HG21 ' A' ' 22' ' ' THR . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 58' ' ' HIS . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.904 HD13 HG12 ' A' ' 56' ' ' VAL . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD11 ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 92.6 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.904 HG12 HD13 ' A' ' 44' ' ' ILE . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HB2' HD11 ' A' ' 45' ' ' LEU . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.618 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.782 ' HG2' HD11 ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD21 HD22 ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 59.2 ttt-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.967 ' O ' HD13 ' A' ' 21' ' ' ILE . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 36' ' ' PHE . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.489 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 22' ' ' THR . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 57' ' ' LYS . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 42' ' ' VAL . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.737 ' HB2' HD21 ' A' ' 45' ' ' LEU . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.696 ' HA ' HG12 ' A' ' 42' ' ' VAL . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.866 HD13 HD21 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' N ' HD23 ' A' ' 67' ' ' LEU . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.866 HD21 HD13 ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.69 ' HB2' HD11 ' A' ' 21' ' ' ILE . 70.8 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 36' ' ' PHE . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 35' ' ' ALA . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 22' ' ' THR . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 56' ' ' VAL . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 57' ' ' LYS . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.654 HG12 HD13 ' A' ' 44' ' ' ILE . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.751 ' HB2' HD21 ' A' ' 45' ' ' LEU . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD22 HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.753 HD21 HD22 ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.5 ttt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.67 ' C ' HD13 ' A' ' 21' ' ' ILE . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 36' ' ' PHE . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.976 HD13 HG12 ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 83.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.976 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HB2' HD11 ' A' ' 45' ' ' LEU . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.841 ' SG ' HG23 ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.841 HG23 ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.939 HD13 HG12 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 57' ' ' LYS . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.939 HG12 HD13 ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.612 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.08 HD13 HD21 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.08 HD21 HD13 ' A' ' 67' ' ' LEU . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 21' ' ' ILE . 71.8 ttt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.92 130.6 12.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.731 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.24 155.84 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.79 99.58 2.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -123.88 102.36 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.07 -63.66 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.8 -93.0 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 145.6 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 151.55 59.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.25 27.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -132.11 145.56 51.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -145.04 -58.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -73.95 173.43 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -77.49 155.45 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.724 HG21 ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.724 ' CD2' HG21 ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.698 HG21 HG21 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.17 -179.3 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.09 145.21 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.4 p -44.72 148.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.4 34.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.542 HD22 HD13 ' A' ' 66' ' ' LEU . 8.9 m-20 -144.42 18.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt 65.9 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.564 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 10.1 m 62.69 60.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 52' ' ' SER . 65.2 m95 -164.86 131.78 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.709 ' HB2' HD21 ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 45' ' ' LEU . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.542 HD13 HD22 ' A' ' 50' ' ' ASN . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 67' ' ' LEU . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 21' ' ' ILE . 59.0 ttt180 -42.7 107.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.91 82.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.8 159.02 17.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.12 151.27 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.57 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -102.44 120.48 40.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -42.16 102.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 -176.41 27.04 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -56.2 169.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.21 -58.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -117.93 5.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 45.45 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.45 146.45 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.5 10.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 11' ' ' THR . 5.9 t -143.62 110.27 5.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 58.53 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -65.97 153.76 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 21' ' ' ILE . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.489 HG21 ' CD1' ' A' ' 36' ' ' PHE . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 58' ' ' HIS . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -147.71 131.98 17.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -89.36 149.34 23.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER 87.07 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 27.0 mp0 -145.46 60.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 1.6 t-20 81.49 21.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.46 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 2.4 t 46.63 45.35 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' CG ' ' O ' ' A' ' 52' ' ' SER . 73.2 m95 -163.3 141.72 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HG2' HD11 ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 67' ' ' LEU . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.638 ' HB2' HD11 ' A' ' 21' ' ' ILE . 60.4 ttt180 -46.96 -66.95 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.05 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.86 157.65 23.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.11 13.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.2 t 47.59 85.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 114.75 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -104.08 137.72 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -91.0 95.04 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.61 86.37 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -92.35 128.98 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -86.72 90.51 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.29 97.0 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.75 -55.92 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 150.12 11.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.5 5.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.6 m -78.9 127.4 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.03 135.69 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -162.98 -174.7 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -72.63 138.87 47.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 21' ' ' ILE . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 36' ' ' PHE . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' HG21 ' A' ' 22' ' ' THR . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG21 HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.742 HD13 HG12 ' A' ' 56' ' ' VAL . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.01 135.57 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.8 111.13 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 179.79 172.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 107.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 71.81 123.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.05 49.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 t -174.78 42.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -159.74 151.98 20.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.88 ' HB2' HD11 ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.442 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.727 ' HG2' HD11 ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 67' ' ' LEU . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 -51.59 -55.89 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 p 44.14 74.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.48 157.01 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.56 16.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.66 167.53 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -53.77 153.43 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -86.31 115.99 24.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.044 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.88 160.41 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.1 -139.01 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.88 108.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.79 117.86 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.65 -120.52 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 164.11 28.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptm -168.54 145.74 3.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -103.75 64.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -118.6 172.85 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 59.18 170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -83.53 130.69 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 21' ' ' ILE . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.759 ' CE2' HD21 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 20' ' ' CYS . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 56' ' ' VAL . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' A' ' 57' ' ' LYS . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.87 163.25 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.25 137.07 52.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.34 159.81 22.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 119.26 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 169.89 -41.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 66.49 26.91 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -154.96 24.85 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 -162.3 149.51 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' LEU . 12.5 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.65 ' HG2' HD11 ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 67' ' ' LEU . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 63.4 ttt-85 -50.45 129.95 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -172.02 133.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.45 -172.41 23.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 75.71 3.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -43.2 162.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -121.1 139.49 53.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.59 165.9 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -82.64 93.22 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.42 67.13 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 163.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.38 133.87 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.99 126.76 29.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mtt -148.32 151.69 37.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -132.21 144.7 50.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -138.57 83.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -138.76 162.58 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -73.83 157.87 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.682 ' C ' HD13 ' A' ' 21' ' ' ILE . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.545 HG21 ' CD1' ' A' ' 36' ' ' PHE . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 22' ' ' THR . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.603 HD13 HG12 ' A' ' 56' ' ' VAL . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -148.04 162.34 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.95 137.15 52.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.91 156.74 26.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.43 111.31 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 176.94 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.57 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -150.89 22.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 52' ' ' SER . 90.3 m95 -165.1 149.47 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.695 ' CG2' HD12 ' A' ' 67' ' ' LEU . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.828 ' HB2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.636 ' HB2' HD11 ' A' ' 21' ' ' ILE . 68.9 ttt180 -39.8 136.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 146.49 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -164.63 1.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 79.13 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.7 t -162.55 124.54 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 m -119.15 -58.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -145.98 138.78 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.96 135.36 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.89 94.99 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.4 -58.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 65.76 121.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 128.95 3.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -59.95 106.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 157.24 34.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -56.84 -65.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.48 -53.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 172.65 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.72 164.92 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.838 ' O ' HD13 ' A' ' 21' ' ' ILE . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 36' ' ' PHE . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 22' ' ' THR . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.95 HD13 HG12 ' A' ' 56' ' ' VAL . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD11 ' HB2' ' A' ' 57' ' ' LYS . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -148.11 122.95 9.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -94.66 154.56 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 1.9 t 88.35 78.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -169.92 122.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 2.5 m120 63.02 99.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' SER . 4.3 mmmt -40.14 107.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.546 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.4 t 85.47 51.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' SER . 96.4 m95 -163.47 149.71 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 108.02 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.95 HG12 HD13 ' A' ' 44' ' ' ILE . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.8 ' HB2' HD11 ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' HA ' HG12 ' A' ' 42' ' ' VAL . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.707 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.8 ttt180 -44.37 115.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m 63.52 111.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.69 170.7 43.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.84 121.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.53 90.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.75 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.58 122.68 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 -142.3 16.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -140.74 119.67 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -132.37 128.24 37.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.89 -161.35 20.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 48.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -68.34 -51.62 23.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.02 149.9 37.26 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -98.67 127.27 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -39.27 134.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.29 -176.87 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -62.02 136.21 57.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 107.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' C ' HD13 ' A' ' 21' ' ' ILE . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.638 HD13 ' C ' ' A' ' 20' ' ' CYS . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 36' ' ' PHE . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.632 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 22' ' ' THR . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 56' ' ' VAL . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.821 HD11 ' HG2' ' A' ' 64' ' ' GLU . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 118.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.54 127.69 0.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.76 -50.09 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 21.0 m120 52.24 27.51 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt 66.09 54.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m 70.56 52.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 84.6 m95 -146.57 149.34 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 44' ' ' ILE . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' HA ' HG12 ' A' ' 42' ' ' VAL . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.821 ' HG2' HD11 ' A' ' 45' ' ' LEU . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' ILE . 75.5 ttt-85 -38.8 146.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.7 m 60.53 74.3 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.26 -164.9 32.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.55 164.98 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -139.94 113.76 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 62.62 159.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 79.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.34 -178.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -163.09 -58.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.75 122.92 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 -117.15 0.05 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.76 97.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 151.64 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.1 4.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 16.0 m -153.18 139.66 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 11' ' ' THR . 1.2 ttm-85 77.19 165.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.06 170.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -76.79 152.38 35.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 35' ' ' ALA . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.723 HD13 HG12 ' A' ' 56' ' ' VAL . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD11 ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -148.05 159.85 43.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.42 136.14 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.81 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.53 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 179.11 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 66.72 24.7 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -150.33 22.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -159.58 147.8 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG12 HD13 ' A' ' 44' ' ' ILE . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 45' ' ' LEU . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.76 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.559 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB2' HD11 ' A' ' 21' ' ' ILE . 69.0 ttt-85 -38.8 -52.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.73 134.91 33.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.1 178.72 31.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 83.46 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.18 163.42 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 23.28 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -123.17 151.74 41.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.83 128.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -64.74 119.58 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -129.97 122.07 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.09 -108.73 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER 66.2 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.257 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 164.38 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.97 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -93.69 133.5 36.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -58.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -84.71 171.92 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -69.71 156.8 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' C ' HD13 ' A' ' 21' ' ' ILE . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.603 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.77 ' CD2' HG21 ' A' ' 22' ' ' THR . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 58' ' ' HIS . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 57' ' ' LYS . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.04 125.45 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.26 119.47 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -165.54 129.27 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.362 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -51.91 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 45.1 m-20 46.92 30.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.35 52.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 46.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 80.8 m95 -138.06 145.16 41.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HA ' HG12 ' A' ' 42' ' ' VAL . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.784 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 67.5 ttt180 -46.14 128.94 9.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 -52.59 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.23 -162.2 15.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.84 155.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.31 -59.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -144.83 169.95 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.89 119.33 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.26 -133.1 7.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -140.22 122.56 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.87 155.07 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.91 118.15 0.44 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -64.09 141.23 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.4 mtp -139.58 151.92 67.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.93 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.3 m -115.53 162.37 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -154.62 173.89 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' CD ' ' OH ' ' A' ' 54' ' ' TYR . 2.6 mmt180 58.57 170.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -84.2 140.2 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.882 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' CYS . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.501 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 35' ' ' ALA . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.954 HD13 HG12 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.707 HD13 ' OE1' ' A' ' 64' ' ' GLU . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -139.03 123.72 18.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -97.55 149.39 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m 84.71 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.96 24.3 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.36 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.14 14.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 p -169.93 32.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.7 m95 -164.02 154.2 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' OH ' ' CD ' ' A' ' 13' ' ' ARG . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.954 HG12 HD13 ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HB2' HD21 ' A' ' 45' ' ' LEU . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' HA ' HG12 ' A' ' 42' ' ' VAL . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.707 ' OE1' HD13 ' A' ' 45' ' ' LEU . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 67' ' ' LEU . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.637 ' HB2' HD11 ' A' ' 21' ' ' ILE . 58.5 ttt85 -46.61 134.05 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.3 t -88.47 96.03 10.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.14 -162.26 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.92 165.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.1 p -122.81 159.01 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -61.59 135.55 57.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -118.55 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -137.99 3.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -169.29 123.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.33 131.86 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.81 97.15 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.47 84.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.493 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.64 -51.79 8.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.4 Cg_endo -75.04 127.34 10.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -160.99 133.6 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.27 108.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 52.97 179.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -81.03 159.13 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' CYS . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' PHE . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 22' ' ' THR . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.832 HD13 HG12 ' A' ' 56' ' ' VAL . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.8 108.01 18.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.51 165.44 35.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.66 146.59 31.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 11.3 m120 -165.32 32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt 69.73 50.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.99 49.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.437 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 74.7 m95 -137.64 147.7 45.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 45' ' ' LEU . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 67' ' ' LEU . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 21' ' ' ILE . 65.5 ttt180 -40.45 -56.41 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.09 111.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.96 162.98 29.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 82.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.02 91.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -175.62 87.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -167.81 109.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.98 157.47 29.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.89 167.14 21.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 0.795 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.78 85.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 79.89 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -140.51 140.89 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mtt -99.99 152.65 37.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -60.11 -60.29 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.53 -59.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -89.33 147.09 24.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' O ' HD13 ' A' ' 21' ' ' ILE . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 36' ' ' PHE . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.495 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD13 HG12 ' A' ' 56' ' ' VAL . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 57' ' ' LYS . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.84 139.78 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.3 116.84 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t 67.02 120.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.74 60.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 166.81 -72.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.3 mmtt 164.46 71.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 82.78 48.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -142.53 174.23 10.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG2' HD12 ' A' ' 45' ' ' LEU . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.825 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' HA ' HG12 ' A' ' 42' ' ' VAL . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.869 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.869 HD21 HD13 ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.609 ' HB2' HD11 ' A' ' 21' ' ' ILE . 61.9 ttt85 -38.85 129.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.13 -58.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.88 -159.65 28.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -62.26 168.62 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 t -148.54 142.18 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -49.04 -58.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.13 92.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.37 -62.06 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -71.01 136.86 48.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -117.13 108.25 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.26 87.47 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.27 132.74 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.8 151.73 74.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 m -126.49 85.19 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 158.43 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 58.52 173.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -63.16 156.86 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.746 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 75' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 36' ' ' PHE . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.809 HD13 HG12 ' A' ' 56' ' ' VAL . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 57' ' ' LYS . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.01 179.69 7.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.9 156.51 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.365 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 p -42.14 143.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.86 50.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' CG ' ' A' ' 51' ' ' LYS . 1.4 m-20 -162.25 -74.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' CG ' ' C ' ' A' ' 50' ' ' ASN . 12.7 mttm -150.31 -76.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.85 49.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 -126.59 167.99 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 67' ' ' LEU . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.753 ' HB2' HD21 ' A' ' 45' ' ' LEU . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.594 ' HB2' HD13 ' A' ' 34' ' ' LEU . 4.6 mm100 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD21 HD13 ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.632 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 -42.68 118.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.7 p -127.37 103.15 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.74 169.38 25.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -170.66 87.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 t 62.09 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 161.07 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.67 159.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 99.24 1.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -134.07 128.51 34.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p 43.54 84.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.48 -138.77 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 117.83 22.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.492 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 168.02 -53.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.01 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -86.65 140.08 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -51.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -123.02 170.01 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -72.42 153.65 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.684 ' O ' HD13 ' A' ' 21' ' ' ILE . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 57' ' ' LYS . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.43 130.39 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -81.07 138.48 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.6 t 87.06 142.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' HD22 ' A' ' 66' ' ' LEU . 25.0 tp10 -155.4 -73.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.07 -54.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -167.87 -55.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 21.0 m -131.45 67.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 52' ' ' SER . 84.0 m95 -155.17 161.04 41.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.696 ' HB2' HD21 ' A' ' 45' ' ' LEU . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 49' ' ' GLU . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.801 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 67' ' ' LEU . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -38.65 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m 61.07 120.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.85 171.76 11.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.6 p -133.58 149.52 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -98.32 93.97 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 167.45 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -129.15 128.68 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.7 132.35 11.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.12 147.56 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.63 144.31 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 -118.85 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 62.28 90.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.3 150.03 0.7 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.3 p -136.82 132.96 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -53.8 160.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 70.33 -178.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -87.65 165.99 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.8 ' O ' HD13 ' A' ' 21' ' ' ILE . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA2' HG22 ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' SG ' ' A' ' 20' ' ' CYS . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.936 HD13 HG12 ' A' ' 56' ' ' VAL . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -137.54 130.85 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.98 111.76 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.2 t 172.53 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 108.332 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' CD ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER 63.11 -79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' CYS . 3.7 t-20 174.97 42.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.7 mttt 44.99 72.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 162.76 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 75.5 m95 -124.0 164.4 19.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.936 HG12 HD13 ' A' ' 44' ' ' ILE . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.739 ' HG2' HD11 ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD22 ' CD ' ' A' ' 49' ' ' GLU . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.671 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.9 ttt180 -52.07 112.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.6 p -96.46 140.84 30.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.31 -168.48 36.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.85 38.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 106.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -123.99 94.04 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 57.47 170.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.24 -59.36 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 -171.26 27.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.06 91.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -56.51 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.03 160.69 36.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -157.8 118.94 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.94 162.89 18.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -113.63 153.89 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 -59.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 157.29 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -77.64 131.69 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.049 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 75' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.675 HG21 ' CD1' ' A' ' 36' ' ' PHE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.553 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.553 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CD1' HG21 ' A' ' 22' ' ' THR . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 58' ' ' HIS . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.904 HD13 HG12 ' A' ' 56' ' ' VAL . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD11 ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.93 178.75 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.87 25.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 28.4 p -41.99 136.75 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -123.34 51.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.51 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -171.9 -62.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 163.7 -55.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -122.3 49.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 92.6 m95 -151.05 151.04 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.904 HG12 HD13 ' A' ' 44' ' ' ILE . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HB2' HD11 ' A' ' 45' ' ' LEU . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.618 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.782 ' HG2' HD11 ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD21 HD22 ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 59.2 ttt-85 -51.04 143.81 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.2 m -148.87 151.13 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 154.73 32.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 178.97 6.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m 59.12 112.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.47 120.51 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -144.83 142.19 29.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 -58.62 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.63 157.6 0.39 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -149.48 112.33 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -111.08 116.45 31.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.25 152.58 40.64 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 95.13 7.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 147.94 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.67 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -116.95 142.58 46.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.39 125.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -143.48 177.95 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -80.18 144.37 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.967 ' O ' HD13 ' A' ' 21' ' ' ILE . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 36' ' ' PHE . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 22' ' ' THR . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 57' ' ' LYS . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -140.18 158.45 44.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.32 111.16 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 61.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.94 108.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -105.53 -61.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 30.7 mtpt -141.62 55.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.404 ' CA ' ' HB3' ' A' ' 69' ' ' ALA . 68.8 m 66.34 58.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 -143.25 156.35 44.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 42' ' ' VAL . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.737 ' HB2' HD21 ' A' ' 45' ' ' LEU . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.696 ' HA ' HG12 ' A' ' 42' ' ' VAL . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.866 HD13 HD21 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' N ' HD23 ' A' ' 67' ' ' LEU . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' HB3' ' CA ' ' A' ' 52' ' ' SER . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.866 HD21 HD13 ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.69 ' HB2' HD11 ' A' ' 21' ' ' ILE . 70.8 ttt180 -43.61 141.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -70.45 119.13 14.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.93 -155.12 11.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 153.72 22.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -152.82 101.68 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -170.57 162.93 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.91 70.56 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.58 127.01 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -178.39 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 108.19 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.46 84.88 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.743 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -64.06 -51.75 60.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.999 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.99 147.65 34.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m 43.44 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.72 113.36 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.27 -178.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -66.09 137.1 56.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 36' ' ' PHE . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 35' ' ' ALA . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 22' ' ' THR . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 56' ' ' VAL . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 57' ' ' LYS . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -145.67 162.47 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.69 112.31 24.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.98 137.46 13.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -49.23 -49.97 40.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 49.48 28.68 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.3 mttm 74.19 35.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 82.32 49.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 -140.72 159.92 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 108.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.654 HG12 HD13 ' A' ' 44' ' ' ILE . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.751 ' HB2' HD21 ' A' ' 45' ' ' LEU . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD22 HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.753 HD21 HD22 ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.5 ttt85 -39.49 -59.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -50.78 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.48 -158.01 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.76 38.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -113.07 -57.55 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.49 128.13 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -175.62 161.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 158.68 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 -160.39 10.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 89.88 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -112.97 79.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.06 140.69 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.95 106.1 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.34 72.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.74 34.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 t -79.31 123.82 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -114.66 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -82.75 -174.86 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.26 164.16 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.67 ' C ' HD13 ' A' ' 21' ' ' ILE . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 36' ' ' PHE . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.976 HD13 HG12 ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.76 123.03 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -85.95 159.94 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER 88.09 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 108.302 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.2 123.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 63.62 104.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -49.79 124.11 9.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.544 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER 65.94 64.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 52' ' ' SER . 83.1 m95 -166.33 134.0 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 107.957 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.976 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HB2' HD11 ' A' ' 45' ' ' LEU . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.1 ttt180 -44.05 126.06 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 m -134.84 -54.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.04 165.15 54.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 144.84 30.6 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.95 103.88 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -59.48 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m -55.76 124.12 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m 62.24 82.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.66 -114.85 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -90.37 116.34 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -103.15 108.61 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.03 -176.17 32.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.41 126.99 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ptp -49.57 153.04 2.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 170.96 19.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.6 m -98.86 84.47 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.628 ' HE ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -156.38 146.59 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 4.3 mpp_? -80.61 -5.89 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 7.2 m0 -163.71 161.57 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.841 ' SG ' HG23 ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.841 HG23 ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.939 HD13 HG12 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 57' ' ' LYS . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.0 125.47 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.628 ' HB3' ' HE ' ' A' ' 12' ' ' ARG . . . -86.42 166.72 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.0 m 66.43 -175.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 79.5 57.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 165.97 -69.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.6 mttt 164.17 -81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.16 49.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 -132.42 162.97 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.939 HG12 HD13 ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.612 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.08 HD13 HD21 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.08 HD21 HD13 ' A' ' 67' ' ' LEU . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 21' ' ' ILE . 71.8 ttt180 -42.8 145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.96 -52.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.02 163.84 25.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 151.48 39.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.4 140.76 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -57.08 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.678 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.724 HG21 ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.724 ' CD2' HG21 ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.698 HG21 HG21 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CE3' ' C ' ' A' ' 67' ' ' LEU . 65.2 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.709 ' HB2' HD21 ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 45' ' ' LEU . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 67' ' ' LEU . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 21' ' ' ILE . 59.0 ttt180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 21' ' ' ILE . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.489 HG21 ' CD1' ' A' ' 36' ' ' PHE . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 58' ' ' HIS . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.41 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 73.2 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HG2' HD11 ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 67' ' ' LEU . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.638 ' HB2' HD11 ' A' ' 21' ' ' ILE . 60.4 ttt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 21' ' ' ILE . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 36' ' ' PHE . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' HG21 ' A' ' 22' ' ' THR . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.675 HG21 HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.742 HD13 HG12 ' A' ' 56' ' ' VAL . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.88 ' HB2' HD11 ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 28.3 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.727 ' HG2' HD11 ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 67' ' ' LEU . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 21' ' ' ILE . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.759 ' CE2' HD21 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 20' ' ' CYS . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 56' ' ' VAL . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' A' ' 57' ' ' LYS . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' LEU . 30.0 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.65 ' HG2' HD11 ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 67' ' ' LEU . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 63.4 ttt-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.682 ' C ' HD13 ' A' ' 21' ' ' ILE . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.682 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.545 HG21 ' CD1' ' A' ' 36' ' ' PHE . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 22' ' ' THR . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.603 HD13 HG12 ' A' ' 56' ' ' VAL . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.3 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.695 ' CG2' HD12 ' A' ' 67' ' ' LEU . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.828 ' HB2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.636 ' HB2' HD11 ' A' ' 21' ' ' ILE . 68.9 ttt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.838 ' O ' HD13 ' A' ' 21' ' ' ILE . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 36' ' ' PHE . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 22' ' ' THR . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.95 HD13 HG12 ' A' ' 56' ' ' VAL . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD11 ' HB2' ' A' ' 57' ' ' LYS . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 96.4 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.95 HG12 HD13 ' A' ' 44' ' ' ILE . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.8 ' HB2' HD11 ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' HA ' HG12 ' A' ' 42' ' ' VAL . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.707 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.8 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' C ' HD13 ' A' ' 21' ' ' ILE . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.638 HD13 ' C ' ' A' ' 20' ' ' CYS . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 36' ' ' PHE . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.632 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 22' ' ' THR . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 56' ' ' VAL . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.821 HD11 ' HG2' ' A' ' 64' ' ' GLU . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 84.6 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 44' ' ' ILE . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' HA ' HG12 ' A' ' 42' ' ' VAL . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.821 ' HG2' HD11 ' A' ' 45' ' ' LEU . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' ILE . 75.5 ttt-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 35' ' ' ALA . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.723 HD13 HG12 ' A' ' 56' ' ' VAL . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD11 ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.723 HG12 HD13 ' A' ' 44' ' ' ILE . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 45' ' ' LEU . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.519 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.76 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB2' HD11 ' A' ' 21' ' ' ILE . 69.0 ttt-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.601 ' C ' HD13 ' A' ' 21' ' ' ILE . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.603 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.77 ' CD2' HG21 ' A' ' 22' ' ' THR . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 58' ' ' HIS . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 57' ' ' LYS . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 80.8 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HA ' HG12 ' A' ' 42' ' ' VAL . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.784 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 67.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.882 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' CYS . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.501 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 35' ' ' ALA . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.954 HD13 HG12 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.707 HD13 ' OE1' ' A' ' 64' ' ' GLU . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.954 HG12 HD13 ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HB2' HD21 ' A' ' 45' ' ' LEU . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.59 ' HA ' HG12 ' A' ' 42' ' ' VAL . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.707 ' OE1' HD13 ' A' ' 45' ' ' LEU . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 67' ' ' LEU . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.637 ' HB2' HD11 ' A' ' 21' ' ' ILE . 58.5 ttt85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' CYS . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' PHE . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 22' ' ' THR . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.832 HD13 HG12 ' A' ' 56' ' ' VAL . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 74.7 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 45' ' ' LEU . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 67' ' ' LEU . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 21' ' ' ILE . 65.5 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.699 ' O ' HD13 ' A' ' 21' ' ' ILE . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 36' ' ' PHE . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.495 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD13 HG12 ' A' ' 56' ' ' VAL . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 57' ' ' LYS . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG2' HD12 ' A' ' 45' ' ' LEU . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.825 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.524 ' HA ' HG12 ' A' ' 42' ' ' VAL . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.869 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.869 HD21 HD13 ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.609 ' HB2' HD11 ' A' ' 21' ' ' ILE . 61.9 ttt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.746 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 75' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 36' ' ' PHE . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.809 HD13 HG12 ' A' ' 56' ' ' VAL . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 57' ' ' LYS . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 67' ' ' LEU . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.753 ' HB2' HD21 ' A' ' 45' ' ' LEU . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.594 ' HB2' HD13 ' A' ' 34' ' ' LEU . 18.0 mm-40 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD21 HD13 ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.632 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.684 ' O ' HD13 ' A' ' 21' ' ' ILE . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 57' ' ' LYS . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 84.0 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.696 ' HB2' HD21 ' A' ' 45' ' ' LEU . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.801 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 67' ' ' LEU . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.8 ' O ' HD13 ' A' ' 21' ' ' ILE . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA2' HG22 ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' SG ' ' A' ' 20' ' ' CYS . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.936 HD13 HG12 ' A' ' 56' ' ' VAL . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 75.5 m95 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.936 HG12 HD13 ' A' ' 44' ' ' ILE . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.739 ' HG2' HD11 ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.671 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 75' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.675 HG21 ' CD1' ' A' ' 36' ' ' PHE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.553 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.553 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CD1' HG21 ' A' ' 22' ' ' THR . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 58' ' ' HIS . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.904 HD13 HG12 ' A' ' 56' ' ' VAL . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD11 ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 92.6 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.904 HG12 HD13 ' A' ' 44' ' ' ILE . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HB2' HD11 ' A' ' 45' ' ' LEU . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.618 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.3 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.782 ' HG2' HD11 ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD21 HD22 ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 59.2 ttt-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.967 ' O ' HD13 ' A' ' 21' ' ' ILE . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 36' ' ' PHE . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.489 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 22' ' ' THR . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 57' ' ' LYS . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 42' ' ' VAL . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.737 ' HB2' HD21 ' A' ' 45' ' ' LEU . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.696 ' HA ' HG12 ' A' ' 42' ' ' VAL . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 24.8 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.866 HD13 HD21 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' N ' HD23 ' A' ' 67' ' ' LEU . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.866 HD21 HD13 ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.69 ' HB2' HD11 ' A' ' 21' ' ' ILE . 70.8 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 36' ' ' PHE . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 35' ' ' ALA . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.617 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 22' ' ' THR . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 56' ' ' VAL . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 57' ' ' LYS . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.654 HG12 HD13 ' A' ' 44' ' ' ILE . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.751 ' HB2' HD21 ' A' ' 45' ' ' LEU . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.2 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.753 HD22 HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.753 HD21 HD22 ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.5 ttt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.67 ' C ' HD13 ' A' ' 21' ' ' ILE . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 36' ' ' PHE . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.976 HD13 HG12 ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 83.1 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.976 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HB2' HD11 ' A' ' 45' ' ' LEU . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.407 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 26.4 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.841 ' SG ' HG23 ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.542 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.841 HG23 ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.939 HD13 HG12 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 57' ' ' LYS . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.939 HG12 HD13 ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.612 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.08 HD13 HD21 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.08 HD21 HD13 ' A' ' 67' ' ' LEU . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 21' ' ' ILE . 71.8 ttt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -151.92 130.6 12.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.731 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.24 155.84 27.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.79 99.58 2.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -123.88 102.36 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.07 -63.66 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.8 -93.0 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 145.6 46.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -142.01 151.55 59.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.25 27.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -132.11 145.56 51.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -145.04 -58.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -73.95 173.43 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -77.49 155.45 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.94 173.34 3.17 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.72 -2.96 12.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -89.15 134.85 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -82.97 118.12 23.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.4 m -111.29 153.99 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.319 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -117.35 150.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.724 HG21 ' CD2' ' A' ' 36' ' ' PHE . 57.2 p -81.96 143.04 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -82.12 -33.4 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 65.3 m -136.58 177.32 7.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 138.09 38.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.59 105.91 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.629 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -93.46 -26.5 17.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.379 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.53 91.29 26.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.93 174.95 11.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.28 175.8 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 92.44 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.39 23.13 4.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -119.43 170.37 9.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -96.11 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -108.53 152.97 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.724 ' CD2' HG21 ' A' ' 22' ' ' THR . 51.2 p90 -164.3 167.0 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -107.1 175.71 5.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -76.65 124.02 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 83.81 45.27 6.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.62 142.33 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -94.59 128.3 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.698 HG21 HG21 ' A' ' 56' ' ' VAL . 28.4 m -138.21 153.55 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.2 m -108.43 129.35 55.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 16.4 mm -63.15 101.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 57' ' ' LYS . 78.8 mt -65.72 -50.12 65.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.17 -179.3 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.09 145.21 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.4 p -44.72 148.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.4 34.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.542 HD22 HD13 ' A' ' 66' ' ' LEU . 8.9 m-20 -144.42 18.95 1.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt 65.9 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.564 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 10.1 m 62.69 60.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 52' ' ' SER . 65.2 m95 -164.86 131.78 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.007 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 67' ' ' LEU . 26.4 m-85 -122.51 148.92 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -105.04 110.98 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -119.8 175.54 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.709 ' HB2' HD21 ' A' ' 45' ' ' LEU . 8.1 tttp -123.76 126.35 46.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 62' ' ' GLY . 18.3 t-80 -75.62 120.63 21.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.545 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -60.86 -69.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -45.93 -61.25 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -74.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.67 13.6 12.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -95.27 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 45' ' ' LEU . 26.1 mt-10 -138.64 115.35 10.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -143.44 174.26 24.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.542 HD13 HD22 ' A' ' 50' ' ' ASN . 37.8 mt -82.31 155.23 24.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -136.89 147.83 46.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -69.69 118.56 12.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.96 -22.22 36.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.9 31.47 8.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -144.68 18.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 HD13 ' A' ' 67' ' ' LEU . 9.4 mt -123.37 150.31 43.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -139.58 171.08 14.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.72 109.15 20.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HB2' HD11 ' A' ' 21' ' ' ILE . 59.0 ttt180 -42.7 107.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.91 82.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.8 159.02 17.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.12 151.27 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.57 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -102.44 120.48 40.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -42.16 102.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 -176.41 27.04 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -56.2 169.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.21 -58.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -117.93 5.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 45.45 89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtt 60.45 146.45 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.5 10.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 11' ' ' THR . 5.9 t -143.62 110.27 5.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.86 124.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 58.53 158.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -65.97 153.76 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.03 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.762 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.79 174.77 2.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.762 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.33 -10.11 14.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -75.18 140.69 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -90.04 119.76 30.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 21' ' ' ILE . 84.1 m -116.22 153.27 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.351 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.5 mm -117.98 147.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.489 HG21 ' CD1' ' A' ' 36' ' ' PHE . 16.7 p -81.91 129.68 34.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -77.34 -27.67 52.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.8 m -131.83 175.94 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.45 139.09 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -125.69 105.9 9.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.615 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -92.5 -32.02 15.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.19 91.38 42.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -65.18 175.9 0.95 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.44 22.95 4.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 28.3 mt-10 -118.43 174.91 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.2 tp -101.26 156.95 17.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.24 160.66 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.489 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.1 p90 -170.16 175.46 4.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.81 177.62 4.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -81.17 115.56 20.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 93.23 45.66 3.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.3 140.53 39.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -92.32 131.55 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 58' ' ' HIS . 17.0 m -138.29 174.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 26.8 m -129.47 132.37 46.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 16.0 mm -69.24 110.91 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD11 ' HG2' ' A' ' 64' ' ' GLU . 36.4 mt -80.53 -55.72 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -147.71 131.98 17.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -89.36 149.34 23.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER 87.07 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 27.0 mp0 -145.46 60.95 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 1.6 t-20 81.49 21.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.5 mttm 64.46 152.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 2.4 t 46.63 45.35 14.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' CG ' ' O ' ' A' ' 52' ' ' SER . 73.2 m95 -163.3 141.72 8.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -141.05 127.54 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -90.13 107.87 19.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.4 m -117.31 175.8 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HA ' HG12 ' A' ' 42' ' ' VAL . 11.3 t-80 -75.05 122.68 23.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -70.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -51.53 -63.97 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.42 -63.64 1.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 11.86 49.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -97.67 178.84 5.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.673 ' HG2' HD11 ' A' ' 45' ' ' LEU . 48.2 mt-10 -136.32 120.12 17.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.47 172.27 27.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.92 139.99 36.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.65 143.03 50.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.35 129.88 40.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -22.18 66.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.59 38.67 3.0 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.37 27.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 67' ' ' LEU . 12.6 mt -132.0 152.82 50.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 3.0 ppt_? -143.08 171.1 14.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -89.84 111.61 22.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.638 ' HB2' HD11 ' A' ' 21' ' ' ILE . 60.4 ttt180 -46.96 -66.95 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.05 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.86 157.65 23.65 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.11 13.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.2 t 47.59 85.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.37 114.75 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -104.08 137.72 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -91.0 95.04 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.61 86.37 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -92.35 128.98 38.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -86.72 90.51 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.29 97.0 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.75 -55.92 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.22 150.12 11.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.5 5.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.6 m -78.9 127.4 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.03 135.69 18.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -162.98 -174.7 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -72.63 138.87 47.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.33 176.98 1.66 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.31 -14.87 6.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.61 146.92 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.75 . . . . 0.0 110.383 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -97.7 118.76 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 21' ' ' ILE . 64.3 m -110.39 153.33 25.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.6 mm -114.37 147.2 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 36' ' ' PHE . 10.4 p -81.67 128.29 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.24 -33.6 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.5 m -134.39 -175.64 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.34 147.11 30.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.03 105.87 8.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.576 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.4 p -91.09 -45.56 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.15 91.32 43.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 175.02 11.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.2 mttm -62.58 175.02 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.31 22.93 5.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -117.03 176.96 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.6 tp -102.5 156.56 17.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.36 152.18 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CD1' HG21 ' A' ' 22' ' ' THR . 11.2 p90 -165.88 176.43 7.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 -112.37 174.06 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.73 143.77 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 62.35 49.28 75.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -105.19 142.09 35.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.52 132.03 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.675 HG21 HG21 ' A' ' 56' ' ' VAL . 35.5 m -135.2 179.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.6 m -134.46 121.56 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.742 HD13 HG12 ' A' ' 56' ' ' VAL . 13.5 mm -59.29 111.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 57' ' ' LYS . 48.6 mt -85.26 -60.34 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.01 135.57 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.8 111.13 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 179.79 172.06 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.39 107.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 71.81 123.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.05 49.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.6 t -174.78 42.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -159.74 151.98 20.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 107.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -150.44 125.47 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -86.85 106.98 18.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -115.6 172.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.88 ' HB2' HD11 ' A' ' 45' ' ' LEU . 18.2 tttt -120.47 122.95 41.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OD1' ' A' ' 40' ' ' ASP . 45.2 t-80 -74.28 124.54 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -58.26 -79.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.1 m -41.47 -64.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -50.24 -64.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.63 7.59 56.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 28.3 mt-30 -95.09 174.23 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.727 ' HG2' HD11 ' A' ' 45' ' ' LEU . 47.7 mt-10 -135.33 122.91 22.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.38 176.4 28.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.58 151.88 30.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.889 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.6 145.43 40.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -71.61 129.7 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -21.58 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.76 -6.12 65.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -111.85 22.41 14.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.889 HD21 HD13 ' A' ' 67' ' ' LEU . 18.8 mt -127.02 152.66 46.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.7 ppt_? -145.1 171.09 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -89.1 114.99 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 -51.59 -55.89 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.3 p 44.14 74.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.48 157.01 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.56 16.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.66 167.53 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.1 m -53.77 153.43 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -86.31 115.99 24.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.044 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.88 160.41 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.1 -139.01 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.88 108.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.79 117.86 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.65 -120.52 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 164.11 28.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptm -168.54 145.74 3.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 160.06 40.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.3 p -103.75 64.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -118.6 172.85 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 59.18 170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -83.53 130.69 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -82.66 168.1 25.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.611 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 111.53 3.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 127.78 -11.99 6.58 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -76.9 144.28 39.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.355 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -93.08 117.12 29.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' C ' HD13 ' A' ' 21' ' ' ILE . 65.6 m -110.25 154.13 23.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 8.1 mm -114.78 148.26 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.0 p -81.8 133.74 35.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -32.87 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -135.6 177.58 7.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 108.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.39 140.88 35.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.439 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -125.85 106.33 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.5 p -92.59 -37.06 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.454 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.87 91.55 49.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -63.6 175.94 0.69 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.0 91.32 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.64 23.04 5.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 24.5 mt-10 -116.84 173.71 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.6 tp -99.17 158.28 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -112.17 163.23 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.759 ' CE2' HD21 ' A' ' 67' ' ' LEU . 25.2 p90 -174.28 175.02 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -112.81 179.29 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -78.3 129.64 35.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 76.01 47.67 11.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -105.24 144.68 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -94.62 132.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 20' ' ' CYS . 11.4 m -134.49 -176.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 m -138.73 119.31 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 56' ' ' VAL . 17.1 mm -59.51 109.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD11 ' HB2' ' A' ' 57' ' ' LYS . 58.5 mt -80.14 -63.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.87 163.25 37.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.25 137.07 52.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.34 159.81 22.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 119.26 13.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 169.89 -41.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt 66.49 26.91 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -154.96 24.85 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.453 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 80.0 m95 -162.3 149.51 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -151.99 129.0 11.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.89 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -118.98 175.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HB2' HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -122.92 124.2 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 11.7 t-80 -73.08 120.65 19.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.605 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 m -54.11 -64.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -52.29 -63.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 110.021 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.72 17.57 32.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HB2' HD13 ' A' ' 34' ' ' LEU . 30.0 mt-30 -102.86 175.67 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.65 ' HG2' HD11 ' A' ' 45' ' ' LEU . 54.4 mt-10 -134.03 117.95 17.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 175.0 28.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.37 152.15 34.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -139.44 136.38 34.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -61.77 132.36 52.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -71.96 -24.59 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.42 -3.08 72.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.52 19.29 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 67' ' ' LEU . 27.4 mt -124.33 152.29 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -144.5 171.17 14.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -89.06 116.02 27.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 63.4 ttt-85 -50.45 129.95 22.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -172.02 133.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.45 -172.41 23.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 75.71 3.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.9 m -43.2 162.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -121.1 139.49 53.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.59 165.9 19.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -82.64 93.22 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.42 67.13 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 163.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.38 133.87 46.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.94 90.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.569 1.168 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.99 126.76 29.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mtt -148.32 151.69 37.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.7 t -132.21 144.7 50.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -138.57 83.15 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -138.76 162.58 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -73.83 157.87 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.637 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -108.43 168.97 7.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.637 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.11 3.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.96 -8.82 6.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -81.8 145.29 30.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -92.03 120.86 33.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.254 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.682 ' C ' HD13 ' A' ' 21' ' ' ILE . 78.2 m -113.09 150.45 32.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 108.302 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.682 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.3 mm -115.77 151.06 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.545 HG21 ' CD1' ' A' ' 36' ' ' PHE . 24.7 p -82.1 148.23 28.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -88.09 -32.12 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.0 m -137.95 175.99 9.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.88 138.12 37.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.4 t60 -126.79 106.21 9.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.2 p -93.92 -34.15 13.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -124.8 91.51 49.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.03 174.67 12.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 5.0 mttm -62.59 174.77 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.03 91.8 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.482 1.78 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.87 21.32 5.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -117.65 172.54 7.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.4 tp -98.22 157.67 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -109.89 159.2 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 22' ' ' THR . 40.8 p90 -169.38 164.63 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 1.5 mmm-85 -104.7 173.14 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -76.33 121.61 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 87.19 47.85 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 37' ' ' ARG . 1.3 m-20 -107.26 137.61 44.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.0 126.22 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 56' ' ' VAL . 19.1 m -135.03 148.48 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 m -102.93 130.27 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.603 HD13 HG12 ' A' ' 56' ' ' VAL . 10.9 mm -61.82 105.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.5 mt -71.8 -64.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -148.04 162.34 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.95 137.15 52.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.91 156.74 26.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.43 111.31 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 176.94 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 28.57 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -150.89 22.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 52' ' ' SER . 90.3 m95 -165.1 149.47 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -150.61 134.02 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.04 109.52 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.695 ' CG2' HD12 ' A' ' 67' ' ' LEU . 5.7 m -121.32 174.07 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.828 ' HB2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -119.34 125.51 49.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HA ' HG12 ' A' ' 42' ' ' VAL . 22.0 t-80 -73.46 123.07 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.62 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -70.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.549 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.0 m -52.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.13 -64.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.7 16.75 35.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -103.02 175.82 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 0.733 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -128.98 117.75 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.39 161.79 28.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.89 139.8 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -119.34 146.74 45.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.72 112.72 11.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -48.24 -27.32 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.17 35.98 3.89 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.27 26.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD21 HD13 ' A' ' 67' ' ' LEU . 12.2 mt -133.86 151.83 51.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.0 ppt_? -143.35 171.27 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -90.19 106.39 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.636 ' HB2' HD11 ' A' ' 21' ' ' ILE . 68.9 ttt180 -39.8 136.2 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 146.49 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -164.63 1.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 79.13 2.72 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.7 t -162.55 124.54 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.2 m -119.15 -58.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -145.98 138.78 25.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.96 135.36 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.89 94.99 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.4 -58.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t 65.76 121.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.13 128.95 3.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -59.95 106.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 157.24 34.25 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.69 15.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -56.84 -65.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.48 -53.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 172.65 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -72.72 164.92 25.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.696 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.36 171.09 4.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.696 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 123.55 7.96 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 109.7 3.45 30.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -90.33 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -88.48 117.56 27.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.838 ' O ' HD13 ' A' ' 21' ' ' ILE . 75.3 m -110.63 160.33 16.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.462 1.101 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.5 mm -123.67 147.23 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 36' ' ' PHE . 14.9 p -78.64 143.59 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -85.5 -29.15 24.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.5 m -140.18 173.27 11.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 142.59 28.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.1 t60 -129.5 106.49 8.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.3 p -93.26 -31.17 14.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.67 91.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -64.36 175.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.441 ' CD ' ' HE3' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.03 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.449 1.763 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.75 22.12 5.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -117.07 175.46 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.2 tp -102.79 155.67 18.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -106.85 164.71 11.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 22' ' ' THR . 34.5 p90 -175.3 169.42 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -107.94 177.34 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -77.97 113.13 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.16 49.34 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 58' ' ' HIS . 37.0 m-20 -107.1 140.14 40.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -92.47 129.74 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 56' ' ' VAL . 24.6 m -139.9 145.06 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.4 m -99.68 129.74 45.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.95 HD13 HG12 ' A' ' 56' ' ' VAL . 48.5 mm -65.21 97.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD11 ' HB2' ' A' ' 57' ' ' LYS . 51.7 mt -67.22 -58.38 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -148.11 122.95 9.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -94.66 154.56 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 1.9 t 88.35 78.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -169.92 122.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 2.5 m120 63.02 99.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 52' ' ' SER . 4.3 mmmt -40.14 107.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.546 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.4 t 85.47 51.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 52' ' ' SER . 96.4 m95 -163.47 149.71 11.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 108.02 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -139.52 139.74 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -92.93 111.35 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.95 HG12 HD13 ' A' ' 44' ' ' ILE . 5.0 m -126.68 175.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.8 ' HB2' HD11 ' A' ' 45' ' ' LEU . 10.9 tttt -120.48 123.27 42.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' HA ' HG12 ' A' ' 42' ' ' VAL . 20.7 t-80 -71.82 122.81 21.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -61.92 -74.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.9 m -44.84 -63.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -54.4 -62.8 1.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.64 18.87 26.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -105.84 -179.03 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.707 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.5 mt-10 -135.0 114.6 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -138.82 178.15 19.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.5 134.94 33.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -117.83 144.1 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.41 125.16 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.82 -35.14 70.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.27 38.56 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.05 22.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 67' ' ' LEU . 18.0 mt -129.41 152.92 48.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.6 ppt_? -145.35 171.49 14.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 108.21 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.66 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.8 ttt180 -44.37 115.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m 63.52 111.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.69 170.7 43.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.84 121.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.53 90.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.75 101.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -136.58 122.68 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.63 -142.3 16.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -140.74 119.67 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -132.37 128.24 37.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.89 -161.35 20.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.5 48.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.482 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -68.34 -51.62 23.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.02 149.9 37.26 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -98.67 127.27 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -39.27 134.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.29 -176.87 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -62.02 136.21 57.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 107.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.8 172.09 7.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 116.9 4.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.534 1.807 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.54 -2.58 13.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 m -83.6 146.75 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.74 115.43 27.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' C ' HD13 ' A' ' 21' ' ' ILE . 73.0 m -112.23 150.35 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.638 HD13 ' C ' ' A' ' 20' ' ' CYS . 7.8 mm -115.75 152.33 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 36' ' ' PHE . 7.5 p -84.43 133.34 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -78.73 -19.13 53.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.9 m -145.31 179.52 7.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -106.72 141.01 38.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -121.48 106.0 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.59 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.8 p -91.84 -42.06 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.5 91.14 46.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.632 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.6 mtmt -52.62 174.66 0.12 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 86.65 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.41 17.38 6.65 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -105.69 174.15 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 4.5 tp -95.77 154.83 17.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.16 160.4 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' CD1' HG21 ' A' ' 22' ' ' THR . 27.2 p90 -168.02 169.39 11.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 mmm-85 -108.27 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -67.03 140.46 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 66.84 48.07 63.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -100.31 140.99 33.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.2 t -96.09 134.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.663 HG21 HG21 ' A' ' 56' ' ' VAL . 34.0 m -143.75 160.73 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.0 m -117.35 121.67 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 56' ' ' VAL . 22.2 mm -56.41 102.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.821 HD11 ' HG2' ' A' ' 64' ' ' GLU . 69.5 mt -65.64 -59.51 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 118.31 33.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m -169.54 127.69 0.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.76 -50.09 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 21.0 m120 52.24 27.51 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt 66.09 54.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m 70.56 52.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 84.6 m95 -146.57 149.34 33.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -140.5 134.05 30.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' CZ ' HD13 ' A' ' 45' ' ' LEU . 15.9 ttt180 -91.14 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 44' ' ' ILE . 4.4 m -127.67 176.23 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -124.88 122.91 38.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' HA ' HG12 ' A' ' 42' ' ' VAL . 41.6 t-80 -72.52 124.7 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.576 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -79.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.546 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -41.36 -63.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -51.61 -61.48 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 94.98 13.38 53.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -99.1 178.68 4.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.345 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.821 ' HG2' HD11 ' A' ' 45' ' ' LEU . 10.1 mt-10 -136.12 115.93 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.39 170.96 25.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.8 mt -75.01 157.17 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -139.67 145.24 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.69 122.25 18.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.65 67.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.56 35.69 4.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -151.42 25.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -130.85 147.07 52.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -137.12 171.15 14.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . 2.9 tt0 -90.87 106.62 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 21' ' ' ILE . 75.5 ttt-85 -38.8 146.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.7 m 60.53 74.3 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.26 -164.9 32.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.55 164.98 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -139.94 113.76 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t 62.62 159.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.15 79.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.34 -178.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -163.09 -58.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.75 122.92 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 -117.15 0.05 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.76 97.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 151.64 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.1 4.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 16.0 m -153.18 139.66 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 11' ' ' THR . 1.2 ttm-85 77.19 165.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.06 170.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -76.79 152.38 35.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.07 170.06 6.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 113.59 3.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.41 -6.25 8.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -85.77 145.49 27.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -90.84 118.96 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 71.3 m -113.46 146.9 38.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.6 mm -112.96 156.13 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 36' ' ' PHE . 19.5 p -90.14 150.77 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -97.35 -10.5 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.97 169.52 22.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.276 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -100.37 141.88 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.0 OUTLIER -128.11 105.95 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.3 p -91.32 -41.45 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -120.28 91.41 46.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.06 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.3 173.96 1.05 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 94.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.542 1.811 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.19 15.06 7.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -114.02 172.6 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 35' ' ' ALA . 2.2 tp -99.61 160.37 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -111.26 148.08 33.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 27.1 p90 -156.72 167.46 30.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.65 176.41 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -73.19 135.55 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 68.11 48.4 53.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.72 143.72 32.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.26 134.77 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 56' ' ' VAL . 21.5 m -146.69 148.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.7 m -104.07 131.57 51.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.434 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.723 HD13 HG12 ' A' ' 56' ' ' VAL . 20.6 mm -63.08 101.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD11 ' HG2' ' A' ' 64' ' ' GLU . 84.6 mt -68.35 -64.86 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -148.05 159.85 43.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.42 136.14 53.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 155.81 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.53 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 179.11 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 66.72 24.7 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -150.33 22.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -159.58 147.8 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -152.03 128.39 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -89.25 113.59 24.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG12 HD13 ' A' ' 44' ' ' ILE . 4.0 m -121.47 177.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 45' ' ' LEU . 8.9 tttp -123.04 128.91 50.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.4 t-80 -76.16 120.71 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.08 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 m -43.53 -64.02 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -53.03 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 109.03 18.8 8.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -100.82 179.02 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.76 ' HG2' HD11 ' A' ' 45' ' ' LEU . 60.2 mt-10 -136.78 114.66 11.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.74 158.3 27.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.82 149.98 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.763 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -131.07 145.24 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.54 116.0 15.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.559 ' HB3' ' HA ' ' A' ' 52' ' ' SER . . . -50.25 -24.93 3.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.21 37.64 3.35 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.59 27.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD21 HD13 ' A' ' 67' ' ' LEU . 22.5 mt -132.67 150.35 52.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -142.66 171.15 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.6 105.53 17.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB2' HD11 ' A' ' 21' ' ' ILE . 69.0 ttt-85 -38.8 -52.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.73 134.91 33.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.1 178.72 31.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 83.46 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.18 163.42 13.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -131.11 23.28 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -123.17 151.74 41.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.83 128.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.44 105.15 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -64.74 119.58 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -129.97 122.07 27.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.09 -108.73 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 9' ' ' MET . 0.0 OUTLIER 66.2 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.257 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 164.38 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.97 83.66 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -93.69 133.5 36.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -58.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -84.71 171.92 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -69.71 156.8 38.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -106.61 169.63 6.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.561 1.821 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.81 -8.05 8.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 139.56 33.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 110.37 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -87.77 120.92 29.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' C ' HD13 ' A' ' 21' ' ' ILE . 76.5 m -113.78 152.55 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 75' ' ' ARG . 7.6 mm -115.58 152.3 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.77 HG21 ' CD2' ' A' ' 36' ' ' PHE . 25.6 p -86.11 131.06 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.06 63.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.7 m -134.93 178.45 7.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -104.6 132.48 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -113.57 106.58 14.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.7 p -92.68 -41.71 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -117.98 91.09 38.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.603 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.04 170.65 19.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 2.0 mttt -48.81 174.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.94 85.49 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.59 20.79 5.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.446 1.091 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.66 174.7 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.64 153.73 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.603 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.09 155.27 23.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.77 ' CD2' HG21 ' A' ' 22' ' ' THR . 27.4 p90 -162.79 160.16 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.78 171.31 8.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -76.46 119.26 20.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 92.79 42.97 4.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 143.05 36.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 76.0 t -91.66 134.73 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 58' ' ' HIS . 16.6 m -143.45 145.09 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.5 m -101.31 130.46 47.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.888 HD13 HG12 ' A' ' 56' ' ' VAL . 22.3 mm -64.12 109.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD21 ' HB2' ' A' ' 57' ' ' LYS . 7.3 mt -73.23 -58.6 3.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.04 125.45 20.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.26 119.47 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.8 t -165.54 129.27 2.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 108.362 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -51.91 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 45.1 m-20 46.92 30.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.35 52.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.72 46.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 80.8 m95 -138.06 145.16 41.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 67' ' ' LEU . 18.8 m-85 -137.39 137.17 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 47.0 ttt180 -94.97 108.68 20.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG12 HD13 ' A' ' 44' ' ' ILE . 6.4 m -119.37 173.37 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.779 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.3 tttt -118.54 123.06 44.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HA ' HG12 ' A' ' 42' ' ' VAL . 5.5 t-80 -70.88 119.11 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.18 -63.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -45.48 -63.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -68.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.71 16.55 9.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -98.29 -179.4 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -134.57 114.35 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.71 170.67 25.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 18.7 mt -77.37 161.78 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.784 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -142.02 151.98 42.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -74.17 120.08 19.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.8 51.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.21 34.56 5.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.37 23.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 67' ' ' LEU . 13.1 mt -127.36 145.84 50.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -136.66 171.3 14.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.98 110.81 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.613 ' HB2' HD11 ' A' ' 21' ' ' ILE . 67.5 ttt180 -46.14 128.94 9.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -99.53 -52.59 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.23 -162.2 15.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.97 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.84 155.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.31 -59.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -144.83 169.95 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.038 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.89 119.33 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.26 -133.1 7.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -140.22 122.56 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.87 155.07 20.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.91 118.15 0.44 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -64.09 141.23 58.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 79.4 mtp -139.58 151.92 67.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.93 33.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.3 m -115.53 162.37 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -154.62 173.89 15.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' CD ' ' OH ' ' A' ' 54' ' ' TYR . 2.6 mmt180 58.57 170.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -84.2 140.2 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.969 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -89.9 169.36 12.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.04 115.58 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.19 -3.5 9.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 m -91.96 139.74 30.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.408 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -86.74 120.42 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.882 ' O ' HD13 ' A' ' 21' ' ' ILE . 66.2 m -109.03 160.51 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' CYS . 5.9 mm -124.66 155.89 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -91.67 146.26 23.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -87.91 -27.04 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -139.18 175.35 9.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 144.38 31.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.501 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.5 t60 -131.33 105.92 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.0 p -92.63 -28.94 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -129.28 91.41 41.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.556 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.02 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -68.93 174.73 2.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.98 93.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.86 6.43 9.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -109.54 172.87 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 35' ' ' ALA . 1.6 tp -106.12 157.89 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.5 155.47 18.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -166.4 154.19 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -91.14 175.86 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -82.72 121.73 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 85.94 45.81 5.57 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.3 145.25 31.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -94.84 129.19 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.621 HG21 HG21 ' A' ' 56' ' ' VAL . 26.3 m -137.53 139.28 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.5 m -91.8 127.19 37.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.954 HD13 HG12 ' A' ' 56' ' ' VAL . 18.9 mm -66.29 108.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.707 HD13 ' OE1' ' A' ' 64' ' ' GLU . 7.0 mt -80.77 -61.13 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -139.03 123.72 18.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -97.55 149.39 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m 84.71 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 108.26 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.96 24.3 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -173.36 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.14 14.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 p -169.93 32.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' O ' ' A' ' 52' ' ' SER . 94.7 m95 -164.02 154.2 14.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' OH ' ' CD ' ' A' ' 13' ' ' ARG . 24.7 m-85 -139.73 126.22 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.17 107.81 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.954 HG12 HD13 ' A' ' 44' ' ' ILE . 14.3 m -123.41 168.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.571 ' HB2' HD21 ' A' ' 45' ' ' LEU . 4.5 tttp -112.94 123.07 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' HA ' HG12 ' A' ' 42' ' ' VAL . 8.9 t-80 -71.29 126.47 29.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.9 -75.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.8 m -45.76 -64.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -52.78 -61.31 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.68 10.6 55.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.43 175.41 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.776 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.707 ' OE1' HD13 ' A' ' 45' ' ' LEU . 51.8 mt-10 -131.23 117.14 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.59 166.47 28.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.14 149.38 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD13 HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -128.57 147.87 50.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -67.47 117.76 9.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.06 -23.56 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.17 34.38 5.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -147.54 22.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 67' ' ' LEU . 17.7 mt -129.52 155.83 45.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.2 ppt_? -146.48 171.11 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.25 110.79 21.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.637 ' HB2' HD11 ' A' ' 21' ' ' ILE . 58.5 ttt85 -46.61 134.05 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.3 t -88.47 96.03 10.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.14 -162.26 10.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.92 165.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.1 p -122.81 159.01 29.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m -61.59 135.55 57.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -118.55 91.79 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.43 -137.99 3.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.9 p -169.29 123.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.33 131.86 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.81 97.15 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.47 84.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.493 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -41.64 -51.79 8.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.4 Cg_endo -75.04 127.34 10.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -160.99 133.6 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.27 108.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 52.97 179.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -81.03 159.13 24.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -110.71 172.94 3.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.727 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 117.89 5.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.85 1.7 17.0 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 m -90.5 137.89 32.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 0.808 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -84.02 115.66 22.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.689 ' C ' HD13 ' A' ' 21' ' ' ILE . 84.3 m -111.14 148.3 33.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.689 HD13 ' C ' ' A' ' 20' ' ' CYS . 5.6 mm -114.42 150.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' PHE . 44.9 p -81.2 146.39 30.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -87.48 -26.19 23.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.1 m -141.13 179.08 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.32 138.12 42.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.479 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -123.54 105.89 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.5 p -92.59 -29.73 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.75 90.85 42.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HG3' ' CA ' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.05 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -60.83 174.24 0.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 91.58 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.89 23.11 4.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -117.64 176.89 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 3.1 tp -99.92 157.05 16.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' CA ' ' HG3' ' A' ' 29' ' ' PRO . . . -111.35 148.44 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CD1' HG21 ' A' ' 22' ' ' THR . 41.3 p90 -159.7 167.1 29.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -107.09 -176.26 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -81.19 126.67 31.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 81.11 47.52 6.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.4 t0 -101.79 140.46 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.76 121.08 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -130.25 156.77 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.6 m -113.31 125.28 54.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.832 HD13 HG12 ' A' ' 56' ' ' VAL . 28.9 mm -57.9 103.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 57' ' ' LYS . 19.3 mt -65.88 -54.11 30.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.98 123.03 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.8 108.01 18.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.51 165.44 35.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.66 146.59 31.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 53' ' ' TRP . 11.3 m120 -165.32 32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt 69.73 50.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.99 49.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.437 ' HB2' ' CB ' ' A' ' 50' ' ' ASN . 74.7 m95 -137.64 147.7 45.17 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' LEU . 27.9 m-85 -140.11 153.14 46.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 ttt85 -106.62 115.76 30.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG12 HD13 ' A' ' 44' ' ' ILE . 5.2 m -127.36 175.1 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 45' ' ' LEU . 16.1 tttt -125.52 125.27 42.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 26.9 t-80 -73.18 121.7 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.08 -69.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.5 m -47.54 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.08 -68.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 104.66 11.92 29.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -95.81 176.2 6.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -131.0 118.28 20.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.94 166.07 28.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.3 mt -75.38 159.82 30.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD12 ' CG2' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -137.77 159.03 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -81.75 116.61 21.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.87 -28.35 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.49 35.18 4.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -149.64 23.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.686 HD21 HD13 ' A' ' 67' ' ' LEU . 12.4 mt -128.75 145.42 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -136.79 171.13 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.81 105.85 18.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.633 ' HB2' HD11 ' A' ' 21' ' ' ILE . 65.5 ttt180 -40.45 -56.41 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.09 111.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.96 162.98 29.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.08 2.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 82.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.02 91.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -175.62 87.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -167.81 109.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.96 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.98 157.47 29.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.89 167.14 21.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 0.795 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.78 85.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.58 79.89 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -140.51 140.89 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 mtt -99.99 152.65 37.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -60.11 -60.29 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.53 -59.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 150.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -89.33 147.09 24.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -91.35 168.11 14.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 116.82 4.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.33 -9.9 8.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.7 m -84.66 141.29 30.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.365 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -89.18 119.57 29.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' O ' HD13 ' A' ' 21' ' ' ILE . 63.4 m -111.58 154.6 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.1 mm -117.82 155.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 36' ' ' PHE . 43.1 p -85.35 140.94 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -82.52 -28.45 31.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.5 m -137.86 176.81 8.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.08 142.24 32.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.495 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.7 t60 -130.29 105.99 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.613 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -91.94 -38.74 12.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -119.92 91.34 45.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' ' NE2' ' A' ' 26' ' ' HIS . 18.2 Cg_endo -74.94 176.2 10.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER -64.88 174.76 1.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.5 Cg_endo -74.96 92.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.98 23.13 5.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -117.38 175.0 5.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -101.82 152.54 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -103.73 159.73 15.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.4 p90 -172.02 160.9 5.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -105.68 171.87 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -68.27 120.86 15.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 89.25 44.97 4.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.46 138.23 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' NH1' ' A' ' 75' ' ' ARG . 41.5 t -96.5 124.34 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 56' ' ' VAL . 33.6 m -135.53 159.6 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 18.1 m -108.24 130.01 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD13 HG12 ' A' ' 56' ' ' VAL . 3.3 mm -66.02 115.61 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 57' ' ' LYS . 8.4 mt -86.65 -51.45 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.84 139.78 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.3 116.84 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 t 67.02 120.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.74 60.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER 166.81 -72.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.3 mmtt 164.46 71.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 82.78 48.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -142.53 174.23 10.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.01 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -152.09 122.06 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG2' HD12 ' A' ' 45' ' ' LEU . 16.4 ttt85 -84.29 109.59 17.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 42' ' ' VAL . 11.1 m -114.06 168.73 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.825 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.7 tttt -118.61 122.36 42.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' HA ' HG12 ' A' ' 42' ' ' VAL . 2.6 t-80 -66.71 140.48 57.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.74 -55.82 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 1.3 m -49.06 -64.39 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' OG ' ' ND1' ' A' ' 58' ' ' HIS . 2.7 p -70.01 -67.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.45 24.95 4.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -101.49 -178.6 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -137.75 128.25 26.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.42 177.37 27.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.83 138.73 31.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.869 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -121.77 156.17 33.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.27 122.7 29.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.7 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.36 39.38 2.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.23 25.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.869 HD21 HD13 ' A' ' 67' ' ' LEU . 11.9 mt -131.57 155.38 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.95 171.21 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.7 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.609 ' HB2' HD11 ' A' ' 21' ' ' ILE . 61.9 ttt85 -38.85 129.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.13 -58.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.88 -159.65 28.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -62.26 168.62 3.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 t -148.54 142.18 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -49.04 -58.5 4.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.13 92.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.37 -62.06 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -71.01 136.86 48.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 p -117.13 108.25 15.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.26 87.47 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.27 132.74 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.8 151.73 74.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.3 m -126.49 85.19 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.41 158.43 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 58.52 173.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -63.16 156.86 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -111.05 174.45 2.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.746 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 123.79 8.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.66 -9.48 25.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 m -78.14 147.56 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -96.21 111.98 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 21' ' ' ILE . 72.5 m -109.79 149.18 30.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 75' ' ' ARG . 6.8 mm -112.21 152.26 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 36' ' ' PHE . 21.5 p -86.69 128.55 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -79.25 -11.72 59.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p -144.47 -174.94 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.262 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.64 144.01 47.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.59 106.8 8.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.576 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 p -92.02 -42.59 9.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -120.28 91.42 46.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.628 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.0 178.76 6.84 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -67.97 175.87 1.57 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.04 92.88 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.22 22.78 5.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' OE1' ' CH2' ' A' ' 53' ' ' TRP . 80.0 mt-10 -118.83 171.35 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 63' ' ' GLN . 3.2 tp -98.53 154.64 17.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -114.28 149.05 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 37.3 p90 -158.31 174.6 14.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 172.59 6.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -63.65 148.57 48.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 57.48 46.69 91.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 1.7 t0 -100.07 139.88 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 47.0 t -95.22 127.78 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 56' ' ' VAL . 32.7 m -137.9 156.18 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.1 m -114.23 122.13 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.809 HD13 HG12 ' A' ' 56' ' ' VAL . 10.3 mm -57.17 109.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 57' ' ' LYS . 31.0 mt -75.58 -52.96 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -148.01 179.69 7.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.9 156.51 26.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.365 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.9 p -42.14 143.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -150.86 50.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' C ' ' CG ' ' A' ' 51' ' ' LYS . 1.4 m-20 -162.25 -74.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' CG ' ' C ' ' A' ' 50' ' ' ASN . 12.7 mttm -150.31 -76.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.85 49.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' CH2' ' OE1' ' A' ' 33' ' ' GLU . 27.4 m95 -126.59 167.99 14.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -138.59 127.22 23.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.1 ttt85 -77.76 111.64 13.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 67' ' ' LEU . 9.3 m -124.58 171.04 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.753 ' HB2' HD21 ' A' ' 45' ' ' LEU . 6.3 tmtt? -123.01 122.99 39.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 28.4 t-80 -73.38 118.89 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.602 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -69.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -48.47 -63.67 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 111.51 14.12 12.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.594 ' HB2' HD13 ' A' ' 34' ' ' LEU . 18.0 mm-40 -92.15 -179.12 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -141.1 109.88 6.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.77 163.45 29.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.3 mm? -64.53 160.54 19.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -142.05 134.54 28.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -50.0 116.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.97 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.48 38.72 3.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -153.29 24.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD21 HD13 ' A' ' 67' ' ' LEU . 30.8 mt -121.77 152.14 39.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.63 171.08 15.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -88.69 107.0 18.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.632 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.4 ttt180 -42.68 118.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.7 p -127.37 103.15 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.74 169.38 25.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 t -170.66 87.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 t 62.09 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 161.07 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.67 159.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.33 99.24 1.25 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.5 p -134.07 128.51 34.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p 43.54 84.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.48 -138.77 3.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.127 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -81.95 117.83 22.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.492 ' CB ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 168.02 -53.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 9' ' ' MET . 18.2 Cg_endo -75.01 90.51 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -86.65 140.08 30.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -51.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -123.02 170.01 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -72.42 153.65 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -105.55 172.69 3.79 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.718 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 -5.98 8.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -85.98 139.69 30.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -89.64 116.88 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.684 ' O ' HD13 ' A' ' 21' ' ' ILE . 97.5 m -111.47 155.84 22.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.4 mm -117.41 152.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 36' ' ' PHE . 4.9 p -79.61 153.45 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -99.54 -15.52 18.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.9 p -148.22 -179.49 6.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.291 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.66 138.88 43.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.493 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.8 t60 -128.33 106.21 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.0 p -94.96 -37.07 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -120.3 90.31 44.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.1 Cg_endo -75.01 177.5 8.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 4.3 mttm -69.73 175.2 2.42 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.1 Cg_endo -75.06 89.2 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.06 -2.64 10.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -91.54 177.64 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -106.3 154.97 19.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -106.18 155.64 19.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 22' ' ' THR . 39.3 p90 -170.4 162.0 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -107.05 172.74 6.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -65.14 141.83 58.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 63.21 49.42 71.29 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.515 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.1 t0 -101.27 141.17 34.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 0.716 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 45.8 t -96.87 126.42 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HG21 ' A' ' 56' ' ' VAL . 35.1 m -133.9 171.47 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.1 m -125.84 126.21 44.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 56' ' ' VAL . 22.6 mm -62.67 109.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.172 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 57' ' ' LYS . 27.9 mt -76.82 -56.86 4.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.43 130.39 19.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -81.07 138.48 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 4.6 t 87.06 142.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' HD22 ' A' ' 66' ' ' LEU . 25.0 tp10 -155.4 -73.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -125.07 -54.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -167.87 -55.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 21.0 m -131.45 67.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 52' ' ' SER . 84.0 m95 -155.17 161.04 41.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.032 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -149.84 128.75 12.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 45' ' ' LEU . 11.5 ttm180 -89.22 107.45 19.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 44' ' ' ILE . 5.7 m -119.3 174.23 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.696 ' HB2' HD21 ' A' ' 45' ' ' LEU . 26.7 tttt -120.97 123.1 41.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.515 ' CD2' ' OD2' ' A' ' 40' ' ' ASP . 42.7 t-80 -74.36 130.25 39.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.527 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.48 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.7 m -40.05 -64.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.46 31.09 28.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -117.5 172.91 7.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -130.28 124.83 33.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.41 177.09 26.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD22 ' HG2' ' A' ' 49' ' ' GLU . 36.1 mt -91.07 125.18 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 0.779 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.801 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -106.98 152.31 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.21 123.47 26.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -21.17 38.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.88 34.76 5.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.45 25.06 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.801 HD21 HD13 ' A' ' 67' ' ' LEU . 20.6 mt -130.82 154.26 48.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 1.8 ppt_? -146.7 171.26 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.92 111.56 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -38.65 -57.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m 61.07 120.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.85 171.76 11.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.6 p -133.58 149.52 51.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -98.32 93.97 6.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 167.45 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 0.787 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -129.15 128.68 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.7 132.35 11.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.12 147.56 42.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.63 144.31 26.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 -118.85 4.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 62.28 90.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.3 150.03 0.7 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.3 p -136.82 132.96 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -53.8 160.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 70.33 -178.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -87.65 165.99 15.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.779 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -118.38 175.35 2.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 112.34 3.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.449 1.762 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.95 -13.34 8.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -76.68 142.47 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 84.5 mt-30 -92.35 132.32 36.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.8 ' O ' HD13 ' A' ' 21' ' ' ILE . 5.9 p -126.71 159.01 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 20' ' ' CYS . 8.8 mm -122.05 141.14 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.2 p -74.41 118.3 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -65.87 -25.49 67.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.54 178.01 7.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -109.31 144.54 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 110.333 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -128.76 105.53 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.4 p -90.05 -47.87 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.06 90.72 34.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.05 177.35 8.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 1.7 mttt -66.53 174.85 1.57 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -74.97 93.59 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 23.01 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.81 -179.85 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 2.7 tp -107.82 151.98 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.82 143.99 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 67' ' ' LEU . 31.7 p90 -154.18 177.35 11.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -108.68 -178.32 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.222 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -88.63 113.6 24.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA2' HG22 ' A' ' 21' ' ' ILE . . . 96.21 44.02 3.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.61 142.7 34.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.61 135.78 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.686 HG23 ' SG ' ' A' ' 20' ' ' CYS . 2.3 m -147.56 155.5 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 20.0 m -110.54 141.12 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.936 HD13 HG12 ' A' ' 56' ' ' VAL . 21.5 mm -76.61 104.21 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 64' ' ' GLU . 80.8 mt -67.42 -60.09 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -137.54 130.85 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.98 111.76 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.2 t 172.53 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 108.332 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' CD ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER 63.11 -79.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' CYS . 3.7 t-20 174.97 42.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.7 mttt 44.99 72.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 162.76 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 75.5 m95 -124.0 164.4 19.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.006 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -149.96 127.36 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -83.48 108.22 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.936 HG12 HD13 ' A' ' 44' ' ' ILE . 4.5 m -118.17 177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -121.09 126.91 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 42' ' ' VAL . 7.6 t-80 -75.43 119.62 19.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -50.34 70.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 10.0 m -64.73 -64.2 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -58.05 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 96.89 15.47 39.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -104.72 -179.04 3.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.739 ' HG2' HD11 ' A' ' 45' ' ' LEU . 11.0 mt-10 -129.9 121.1 25.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.03 178.29 21.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD22 ' CD ' ' A' ' 49' ' ' GLU . 73.0 mt -90.82 137.71 32.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD13 HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -118.59 155.81 30.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -77.73 120.74 23.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.86 -18.73 57.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 -3.89 56.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -112.97 21.15 15.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -118.3 150.55 39.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -144.21 169.1 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.09 114.35 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.671 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.9 ttt180 -52.07 112.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.6 p -96.46 140.84 30.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.31 -168.48 36.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.85 38.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.09 106.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -123.99 94.04 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m 57.47 170.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 110.018 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -98.24 -59.36 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.94 -171.26 27.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.06 91.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -56.51 4.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.03 160.69 36.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -157.8 118.94 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.94 162.89 18.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.92 5.45 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -113.63 153.89 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.88 -59.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.89 157.29 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -77.64 131.69 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 108.049 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -78.38 170.45 16.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 124.38 8.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ILE . . . 114.88 -14.66 19.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 m -75.13 155.06 37.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 89.2 mt-30 -91.98 154.47 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 19' ' ' GLN . 23.7 m -150.89 150.09 30.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.33 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 75' ' ' ARG . 21.5 mt -130.91 145.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.675 HG21 ' CD1' ' A' ' 36' ' ' PHE . 68.0 p -81.05 151.97 28.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -93.51 -19.52 21.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -135.34 178.82 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' ' HB2' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -104.98 145.01 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 1.1 t60 -129.62 106.84 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.645 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 65.5 p -96.14 -32.86 12.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.6 91.14 48.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.553 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.96 173.79 13.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 2.8 mttm -58.01 174.83 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -74.99 89.23 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.01 20.32 5.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.58 173.65 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 3.1 tp -97.25 155.27 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.553 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.33 154.92 22.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.675 ' CD1' HG21 ' A' ' 22' ' ' THR . 24.9 p90 -164.76 164.1 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -96.83 176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 25' ' ' GLU . 6.3 tttt -79.92 110.44 15.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 96.49 48.74 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.051 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.7 139.55 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.5 t -91.75 139.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 58' ' ' HIS . 7.7 m -141.17 178.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 23.7 m -131.74 123.41 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.446 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.904 HD13 HG12 ' A' ' 56' ' ' VAL . 23.0 mm -61.87 104.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD11 ' HG2' ' A' ' 64' ' ' GLU . 46.4 mt -72.61 -59.51 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.93 178.75 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.87 25.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 28.4 p -41.99 136.75 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -123.34 51.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.51 ' O ' ' CG ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -171.9 -62.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 163.7 -55.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 t -122.3 49.84 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.938 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' O ' ' CB ' ' A' ' 48' ' ' CYS . 92.6 m95 -151.05 151.04 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.026 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.86 146.58 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -101.48 111.25 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.904 HG12 HD13 ' A' ' 44' ' ' ILE . 4.7 m -125.65 176.15 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HB2' HD11 ' A' ' 45' ' ' LEU . 9.0 tttp -123.08 123.16 40.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.618 ' HA ' HG12 ' A' ' 42' ' ' VAL . 10.1 t-80 -69.68 124.0 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -59.46 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -46.74 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -49.73 -57.12 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 89.4 12.26 63.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.3 mt-30 -99.05 -179.91 4.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.782 ' HG2' HD11 ' A' ' 45' ' ' LEU . 35.7 mt-10 -136.58 124.44 22.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -148.18 173.67 28.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.61 130.73 34.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -112.25 147.75 35.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.082 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.31 125.75 29.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -15.98 58.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.21 34.61 5.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.52 24.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD21 HD22 ' A' ' 67' ' ' LEU . 44.9 mt -127.76 158.29 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -140.32 169.84 16.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -90.98 113.46 25.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 21' ' ' ILE . 59.2 ttt-85 -51.04 143.81 9.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.2 m -148.87 151.13 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 154.73 32.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 178.97 6.57 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.495 1.787 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.0 m 59.12 112.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.47 120.51 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -144.83 142.19 29.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.61 -58.62 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.63 157.6 0.39 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -149.48 112.33 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -111.08 116.45 31.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.25 152.58 40.64 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 95.13 7.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 147.94 23.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 88.67 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.1 m -116.95 142.58 46.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.39 125.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -143.48 177.95 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -80.18 144.37 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 108.003 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -100.25 177.36 1.56 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.841 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 125.37 9.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.03 -8.98 36.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.7 m -82.27 140.36 33.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -90.9 138.84 31.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.967 ' O ' HD13 ' A' ' 21' ' ' ILE . 4.2 p -130.55 161.7 30.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 20' ' ' CYS . 6.0 mm -127.85 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 36' ' ' PHE . 67.5 p -82.32 136.92 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -85.42 -9.41 57.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m -148.74 170.37 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -103.63 139.64 38.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -122.03 105.81 10.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.576 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.3 p -93.72 -25.96 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -134.2 91.05 24.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.634 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.97 175.62 10.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -66.75 175.28 1.45 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.06 92.17 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.66 23.04 4.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 45.2 mt-10 -119.79 179.49 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 2.7 tp -107.1 155.98 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -110.8 156.31 21.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 22' ' ' THR . 36.3 p90 -162.17 172.81 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -109.36 -175.7 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.76 125.3 29.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 78.33 48.85 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -100.77 143.02 31.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.27 130.92 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' SG ' ' A' ' 20' ' ' CYS . 5.8 m -141.23 165.09 19.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 19.3 m -118.43 135.96 54.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.22 102.26 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD21 ' HB2' ' A' ' 57' ' ' LYS . 13.1 mt -66.38 -61.84 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -140.18 158.45 44.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.32 111.16 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 61.5 0.96 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -52.94 108.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -105.53 -61.68 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 30.7 mtpt -141.62 55.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.404 ' CA ' ' HB3' ' A' ' 69' ' ' ALA . 68.8 m 66.34 58.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 93.7 m95 -143.25 156.35 44.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -149.41 127.41 11.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 110.39 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 42' ' ' VAL . 10.1 m -123.37 173.64 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.737 ' HB2' HD21 ' A' ' 45' ' ' LEU . 27.8 tttt -118.98 127.11 53.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.696 ' HA ' HG12 ' A' ' 42' ' ' VAL . 19.0 t-80 -77.49 122.92 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.12 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.578 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.7 m -47.88 -63.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -52.78 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.04 22.66 16.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 24.8 mt-30 -107.63 174.49 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.46 111.45 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -142.2 171.26 24.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.73 155.1 31.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.866 HD13 HD21 ' A' ' 72' ' ' LEU . 2.7 tt -138.01 132.99 33.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' N ' HD23 ' A' ' 67' ' ' LEU . . . -54.99 117.63 3.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' HB3' ' CA ' ' A' ' 52' ' ' SER . . . -59.18 -25.8 64.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.5 37.52 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 28.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.796 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.866 HD21 HD13 ' A' ' 67' ' ' LEU . 53.2 mt -124.06 153.72 40.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -146.18 169.59 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -91.21 108.27 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.69 ' HB2' HD11 ' A' ' 21' ' ' ILE . 70.8 ttt180 -43.61 141.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.5 p -70.45 119.13 14.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.93 -155.12 11.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 153.72 22.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -152.82 101.68 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.0 -59.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -170.57 162.93 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.91 70.56 0.45 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.58 127.01 1.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.774 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -178.39 105.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.55 108.19 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.46 84.88 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.743 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -64.06 -51.75 60.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.999 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 9' ' ' MET . 18.3 Cg_endo -74.99 147.65 34.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.6 m 43.44 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.72 113.36 26.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.27 -178.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -66.09 137.1 56.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -88.41 169.88 12.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 114.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.98 -3.47 8.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -89.37 138.2 31.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.374 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -88.15 118.72 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.646 ' C ' HD13 ' A' ' 21' ' ' ILE . 97.2 m -110.9 149.16 31.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.2 mm -111.98 153.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 36' ' ' PHE . 34.4 p -86.26 150.64 24.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -96.22 -13.72 23.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.7 m -145.36 176.6 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -109.58 133.78 52.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' NE2' ' HA ' ' A' ' 29' ' ' PRO . 1.2 t60 -120.73 105.93 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -91.9 -31.47 15.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.422 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -128.4 91.5 43.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.617 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 174.7 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -60.62 175.85 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.0 90.19 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.0 22.48 5.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 61.6 mt-10 -116.3 170.47 8.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 35' ' ' ALA . 4.2 tp -94.71 156.04 16.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.617 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -113.41 156.45 23.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.471 ' CD1' HG21 ' A' ' 22' ' ' THR . 10.6 p90 -165.73 166.13 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 15.7 mmt85 -108.58 177.61 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -69.78 133.69 47.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 71.34 50.08 23.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' OD2' ' CE1' ' A' ' 58' ' ' HIS . 0.6 OUTLIER -106.66 138.6 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.7 t -92.8 138.68 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 56' ' ' VAL . 25.5 m -148.8 141.99 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 17.5 m -98.81 132.26 44.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 56' ' ' VAL . 6.7 mm -65.99 106.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 57' ' ' LYS . 11.0 mt -71.29 -52.84 16.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -145.67 162.47 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.69 112.31 24.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -156.98 137.46 13.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -49.23 -49.97 40.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 49.48 28.68 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 52' ' ' SER . 5.3 mttm 74.19 35.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 82.32 49.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.534 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 40.0 m95 -140.72 159.92 41.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 108.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -131.58 125.68 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -80.29 106.85 12.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.654 HG12 HD13 ' A' ' 44' ' ' ILE . 14.9 m -122.47 172.78 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.751 ' HB2' HD21 ' A' ' 45' ' ' LEU . 1.8 tttp -116.13 122.81 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 15.8 t-80 -73.3 121.45 20.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.553 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -59.28 -68.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.621 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -53.72 -64.22 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -52.14 -64.16 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 95.92 17.66 34.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 25.2 mt-30 -104.38 179.97 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.32 113.82 14.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -147.15 160.06 28.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.4 mm? -64.27 154.86 33.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.753 HD22 HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -135.69 136.52 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -55.36 113.13 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -19.82 52.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 36.38 4.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -154.11 25.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.736 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.753 HD21 HD22 ' A' ' 67' ' ' LEU . 13.9 mt -122.86 144.84 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 ppt_? -137.5 171.23 14.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -90.23 106.98 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' A' ' 21' ' ' ILE . 56.5 ttt85 -39.49 -59.92 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -50.78 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 49.48 -158.01 1.37 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.76 38.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 t -113.07 -57.55 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.49 128.13 34.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -175.62 161.93 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 158.68 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 -160.39 10.5 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.34 89.88 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -112.97 79.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.06 140.69 11.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.95 106.1 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.38 149.34 72.12 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.74 34.21 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 t -79.31 123.82 27.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -114.66 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -82.75 -174.86 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.26 164.16 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.679 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -113.15 170.43 5.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.679 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 123.83 8.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.81 -5.47 25.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 m -84.56 140.63 31.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -88.17 114.48 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.67 ' C ' HD13 ' A' ' 21' ' ' ILE . 59.8 m -109.11 154.27 22.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.67 HD13 ' C ' ' A' ' 20' ' ' CYS . 6.4 mm -115.67 153.4 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.511 HG21 ' CD1' ' A' ' 36' ' ' PHE . 31.3 p -86.53 140.52 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -80.16 -29.07 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 m -137.87 -178.97 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 108.3 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.42 144.84 31.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.7 OUTLIER -129.29 105.93 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.7 p -91.99 -35.62 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.28 91.79 45.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.94 174.84 12.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.038 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -62.07 175.58 0.55 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 30' ' ' LYS . 18.4 Cg_endo -74.99 92.03 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.06 22.55 5.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 42.2 mt-10 -118.11 171.2 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' CB ' ' HA3' ' A' ' 65' ' ' GLY . 4.1 tp -97.32 156.96 16.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . . . -111.2 157.58 19.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 22' ' ' THR . 28.9 p90 -166.68 174.26 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -110.81 -178.68 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -83.17 113.52 20.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 94.1 46.64 3.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 142.3 36.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.79 131.48 39.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 56' ' ' VAL . 17.8 m -140.96 145.68 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.5 m -99.18 130.11 45.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.976 HD13 HG12 ' A' ' 56' ' ' VAL . 48.3 mm -64.92 105.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 64' ' ' GLU . 73.6 mt -74.07 -66.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.76 123.03 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' CYS . . . -85.95 159.94 19.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER 88.09 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 108.302 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.2 123.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 63.62 104.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -49.79 124.11 9.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.544 ' O ' ' CG ' ' A' ' 53' ' ' TRP . 0.4 OUTLIER 65.94 64.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 52' ' ' SER . 83.1 m95 -166.33 134.0 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 107.957 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -130.67 130.88 44.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.86 110.72 21.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.976 HG12 HD13 ' A' ' 44' ' ' ILE . 5.9 m -121.67 177.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HB2' HD11 ' A' ' 45' ' ' LEU . 1.1 tttp -122.49 123.06 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 61' ' ' SER . 10.2 t-80 -72.58 120.72 18.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.565 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.34 -59.7 4.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.9 m -60.45 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HB2' ' CG ' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -53.45 -58.22 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 93.31 9.72 60.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.969 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.407 ' NE2' ' OG ' ' A' ' 61' ' ' SER . 26.4 mt-30 -95.99 -179.09 4.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 45' ' ' LEU . 24.2 mt-10 -135.82 116.84 14.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -140.97 175.99 21.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.1 mt -89.21 127.07 35.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 0.717 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.906 HD13 HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -105.5 144.82 31.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -68.55 115.83 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.1 15.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.36 37.79 3.32 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.533 1.146 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -150.85 23.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.906 HD21 HD13 ' A' ' 67' ' ' LEU . 12.9 mt -128.48 154.14 46.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -145.29 171.25 14.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -90.29 110.49 21.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 21' ' ' ILE . 54.1 ttt180 -44.05 126.06 4.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 m -134.84 -54.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.04 165.15 54.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 144.84 30.6 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.95 103.88 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -59.48 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 m -55.76 124.12 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m 62.24 82.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.66 -114.85 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 m -90.37 116.34 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -103.15 108.61 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.03 -176.17 32.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.41 126.99 31.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.1 ptp -49.57 153.04 2.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 170.96 19.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.6 m -98.86 84.47 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.628 ' HE ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -156.38 146.59 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 4.3 mpp_? -80.61 -5.89 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 7.2 m0 -163.71 161.57 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -114.86 172.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.711 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.52 -11.38 6.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 m -79.29 143.42 35.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 110.397 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.26 127.85 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.841 ' SG ' HG23 ' A' ' 42' ' ' VAL . 9.2 p -121.33 154.95 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.345 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 20' ' ' CYS . 7.6 mm -119.45 145.67 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.3 p -85.59 124.03 31.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -21.59 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 p -135.21 175.54 9.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 108.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.33 144.1 39.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 1.2 t60 -130.59 106.7 8.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -90.68 -46.17 8.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.86 91.4 30.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HG3' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -61.65 173.92 0.73 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.13 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.82 20.38 5.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' OE2' ' CH2' ' A' ' 53' ' ' TRP . 72.7 mt-10 -116.26 176.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 0.765 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 35' ' ' ALA . 3.3 tp -101.77 159.1 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.542 ' H ' HD12 ' A' ' 34' ' ' LEU . . . -113.03 149.79 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 26' ' ' HIS . 36.6 p90 -158.68 168.86 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -113.44 -178.25 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -72.5 149.03 44.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 21' ' ' ILE . . . 49.38 51.27 27.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.28 136.08 45.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.8 t -89.72 139.19 17.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.841 HG23 ' SG ' ' A' ' 20' ' ' CYS . 1.7 m -149.17 162.4 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 21.2 m -117.33 132.56 56.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.939 HD13 HG12 ' A' ' 56' ' ' VAL . 17.2 mm -68.17 115.23 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 57' ' ' LYS . 4.1 mt -86.67 -61.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.0 125.47 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.25 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.628 ' HB3' ' HE ' ' A' ' 12' ' ' ARG . . . -86.42 166.72 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.0 m 66.43 -175.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 79.5 57.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 165.97 -69.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 9.6 mttt 164.17 -81.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.16 49.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.472 ' CH2' ' OE2' ' A' ' 33' ' ' GLU . 29.6 m95 -132.42 162.97 29.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -134.49 122.97 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -76.97 107.03 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.939 HG12 HD13 ' A' ' 44' ' ' ILE . 11.5 m -124.44 170.72 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 45' ' ' LEU . 25.6 tttt -111.98 128.92 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.612 ' HA ' HG12 ' A' ' 42' ' ' VAL . 6.6 t-80 -79.34 121.69 25.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' CE1' ' A' ' 58' ' ' HIS . 3.4 m -63.88 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -57.31 -60.94 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' HIS . . . 97.8 19.75 23.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -110.68 -179.33 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -131.35 117.66 19.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 34' ' ' LEU . . . -149.62 162.51 29.1 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.5 mm? -64.99 149.39 49.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.08 HD13 HD21 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -136.59 131.74 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . . . -45.8 121.22 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 -11.94 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.72 -2.74 46.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . . . -110.72 17.32 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.08 HD21 HD13 ' A' ' 67' ' ' LEU . 46.2 mt -114.87 153.78 29.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.491 ' CD ' ' HB ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -146.7 169.12 19.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -90.4 107.88 19.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB2' HD11 ' A' ' 21' ' ' ILE . 71.8 ttt180 -42.8 145.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.96 -52.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.02 163.84 25.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 151.48 39.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.4 140.76 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -57.08 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 179.999 . . . . . . . . 0 0 . 1 stop_ save_