data_2dai_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 2dai _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 ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.631 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' O ' ' NH2' ' A' ' 45' ' ' ARG . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.7 mt-30 -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HE1' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.467 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.468 ' HE1' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 63' ' ' TRP . 20.0 m-70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 37' ' ' THR . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.4 mt-30 -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' MET . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 33' ' ' LEU . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CG ' HD23 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.46 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.581 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG11 ' CE ' ' A' ' 55' ' ' MET . 61.5 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.428 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.1 mt-30 -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.466 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' MET . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' HD11 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 45' ' ' ARG . 4.2 t30 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' N ' HD21 ' A' ' 44' ' ' ASN . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.576 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 41' ' ' PHE . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 34.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 43' ' ' GLU . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.2 mt-30 -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' MET . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' CG ' HD12 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.5 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.453 ' CE3' ' HB1' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 41' ' ' PHE . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 33' ' ' LEU . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CG ' HD12 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.461 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 61' ' ' MET . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 18.8 m-70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.529 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 57.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.529 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 4.6 mt-30 -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' ' CD1' ' A' ' 65' ' ' ILE . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 61' ' ' MET . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CD1' ' HE1' ' A' ' 61' ' ' MET . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 29' ' ' ASP . 46.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 57' ' ' VAL . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.444 ' CE ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 29' ' ' ASP . 61.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' CG ' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CG ' HD23 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' LYS . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.462 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG12 ' CE ' ' A' ' 55' ' ' MET . 46.6 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' N ' HG11 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' A' ' 57' ' ' VAL . 4.6 mt-30 -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.486 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' CG ' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CG ' HD11 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.565 HD11 ' CZ2' ' A' ' 63' ' ' TRP . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 29' ' ' ASP . 60.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' N ' HG11 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CG ' HD11 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' CE ' ' A' ' 55' ' ' MET . 57.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 51' ' ' GLN . 48.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 43' ' ' GLU . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.1 mm100 -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' HD11 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' HD23 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.461 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 41' ' ' PHE . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 41.4 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CD1' ' HG2' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CG ' HD12 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 63' ' ' TRP . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.549 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 41' ' ' PHE . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 44.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' HD11 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.475 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.475 ' CE ' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.44 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.636 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 41' ' ' PHE . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 29' ' ' ASP . 44.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.438 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.4 ' CD1' ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -159.95 123.33 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p 179.79 170.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.47 -137.03 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -178.45 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -73.29 96.73 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.83 -178.14 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.04 -55.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.87 158.1 4.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.66 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.66 140.49 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.81 131.38 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -160.98 168.57 24.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.68 147.46 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 83.75 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.09 120.5 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 57.25 107.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.08 89.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 tpt -150.75 141.22 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -142.17 -113.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -163.5 137.14 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.44 153.85 19.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.42 111.86 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -115.92 149.63 38.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.14 175.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 167.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -40.61 160.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.0 170.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD22 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' MET . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' N ' HD21 ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.631 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' O ' ' NH2' ' A' ' 45' ' ' ARG . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 -77.37 -10.49 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' ILE . . . -40.4 -31.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -123.53 58.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.08 144.36 33.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.7 p -43.69 -44.46 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 HD11 ' NE ' ' A' ' 45' ' ' ARG . 1.2 tt -40.61 -34.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.401 ' N ' HG22 ' A' ' 73' ' ' ILE . 12.1 t0 60.33 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -135.64 146.97 59.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.0 179.08 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.6 171.01 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 m -125.06 86.74 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.98 -142.8 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -53.53 161.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.9 p 41.2 79.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.57 152.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 168.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.94 36.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -172.45 169.18 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -153.63 162.48 41.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.53 -163.22 9.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -163.73 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.91 170.41 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -168.75 142.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -123.98 168.29 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -142.38 176.24 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -124.21 160.74 27.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 169.56 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 160.52 37.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.47 143.68 39.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -136.6 160.72 37.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.81 166.19 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -148.75 135.52 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -141.92 -114.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.07 109.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.41 149.51 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.99 114.56 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.84 168.88 10.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.38 162.24 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 61.52 127.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.97 155.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.22 168.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.7 mt-30 -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HE1' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' CG ' HD23 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.467 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.468 ' HE1' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 63' ' ' TRP . 20.0 m-70 -66.51 -10.72 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.21 -30.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.2 mt-10 -131.5 59.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.83 151.68 47.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.2 p -45.85 -57.45 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 HD11 ' CH2' ' A' ' 63' ' ' TRP . 1.5 tt -43.07 -39.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' N ' HG21 ' A' ' 73' ' ' ILE . 3.9 t70 59.55 169.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -147.61 146.92 26.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -119.6 134.12 55.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -136.31 -49.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.97 -145.47 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.89 34.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 p -126.11 -54.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -156.42 160.0 39.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 170.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 165.96 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.47 -173.01 40.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -170.93 141.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -178.96 150.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 -162.86 31.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 109.75 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.13 153.3 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.41 138.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.32 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.81 111.33 17.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -154.73 54.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -63.68 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 47.78 66.48 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.6 105.23 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -158.79 -59.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.22 83.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.4 152.27 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.42 -134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -111.4 -58.65 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.0 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.81 121.85 22.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.65 140.4 51.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -128.28 160.81 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -172.84 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 160.19 37.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.11 168.23 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 37' ' ' THR . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.4 mt-30 -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' MET . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 33' ' ' LEU . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' CG ' HD23 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.46 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.581 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 -67.39 -11.0 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.51 -33.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.4 mt-10 -126.23 58.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.71 150.4 44.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.1 p -42.41 -57.68 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 HD13 ' CH2' ' A' ' 63' ' ' TRP . 1.3 tt -42.05 -39.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -175.17 117.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 91.5 m -70.59 143.68 90.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.98 153.08 41.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.37 121.19 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -59.48 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.02 164.23 51.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -44.69 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 p -151.96 164.71 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.5 p 42.75 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.28 152.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 -58.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 118.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 169.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -165.36 151.94 10.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.04 -162.83 9.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 167.46 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.63 -21.9 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t 62.77 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.31 171.94 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.53 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.0 168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.42 147.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.26 128.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.93 162.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.58 116.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 128.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.29 102.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.91 100.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 177.5 165.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 56.71 103.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.34 100.0 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.34 145.64 48.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.51 112.0 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -175.29 -64.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 158.8 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG11 ' CE ' ' A' ' 55' ' ' MET . 61.5 t -44.9 165.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.428 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -77.3 -18.75 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -45.62 -30.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -106.31 43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.1 t0 -128.78 128.94 23.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.95 20.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.794 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.5 p -123.06 77.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -48.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.55 114.67 26.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 58.64 155.78 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.2 mt -101.79 121.46 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -88.63 112.85 23.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.49 157.28 32.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.36 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -83.95 -56.57 3.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.2 p -49.25 117.53 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p 179.04 158.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -167.44 169.6 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 -171.25 44.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -147.83 166.5 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.03 169.05 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 -136.69 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -163.54 162.03 24.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.14 170.94 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 p -163.81 139.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -96.53 163.18 13.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.94 174.94 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 9.5 p90 -107.1 168.92 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.74 -62.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -171.28 160.69 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.9 172.71 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -179.03 163.34 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.02 -114.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.53 170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -126.96 82.49 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -143.0 161.02 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.29 157.71 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.88 131.22 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -135.32 113.07 10.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.3 165.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.69 168.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.1 mt-30 -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.466 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 61' ' ' MET . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ALA . 22.0 m-70 -66.64 -10.57 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -40.31 -44.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.02 61.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.67 147.49 42.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ILE . 69.7 p -50.61 -45.64 57.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 74' ' ' ASP . 1.4 tt -40.6 -32.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 73' ' ' ILE . 6.2 t70 60.74 152.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.495 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 16.6 m -132.46 145.44 57.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.99 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -56.55 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 p -105.15 111.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.43 -153.97 6.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.08 2.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 141.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.6 t -143.54 153.43 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -178.29 164.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -170.13 143.68 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.5 -110.94 2.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.55 123.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -176.92 135.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.68 6.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 127.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.67 170.67 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -147.64 128.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.4 153.12 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.5 134.07 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -172.29 151.56 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 165.52 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.01 139.83 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.93 138.21 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -154.42 153.16 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.69 172.18 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.2 tpt 60.14 149.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.79 113.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.03 139.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 122.72 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.08 119.64 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 163.29 13.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 161.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.4 -65.64 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -80.35 148.04 30.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.58 168.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' CG ' HG23 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CG ' HD11 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 45' ' ' ARG . 4.2 t30 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' N ' HD21 ' A' ' 44' ' ' ASN . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.576 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 41' ' ' PHE . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 -67.06 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.37 -37.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.51 62.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.08 143.46 38.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.9 p -38.99 -38.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.2 tt -43.14 -45.24 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER 172.93 88.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.498 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.62 147.95 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.95 121.85 6.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.77 82.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -97.09 153.05 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.38 -85.01 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.73 40.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -80.34 102.34 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.3 t -133.19 94.64 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.86 168.43 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.18 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.22 175.62 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.74 162.98 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -161.18 126.33 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 164.27 12.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -175.96 107.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 91.01 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.79 119.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.77 131.63 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.69 151.34 22.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 61' ' ' MET . 14.7 p90 -138.54 146.76 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -138.02 128.67 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -100.09 -75.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.87 87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -145.87 -53.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.16 -36.95 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.5 ttp -69.72 145.23 52.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.32 -109.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.8 138.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.35 145.33 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -129.86 111.15 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.44 168.4 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.68 159.54 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 62.12 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.241 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.8 162.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 34.1 t -68.88 169.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD22 ' CG ' ' A' ' 43' ' ' GLU . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.2 mt-30 -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' MET . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' CG ' HD12 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' ASN . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.5 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.453 ' CE3' ' HB1' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 41' ' ' PHE . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -50.02 -23.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.65 -46.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.5 -42.49 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -46.19 126.28 7.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 p -109.14 70.75 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -27.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.5 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.2 m -118.15 143.56 33.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.96 104.28 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.66 162.06 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -79.87 -54.69 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.24 -145.64 16.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.68 5.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.491 1.785 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -140.58 137.03 33.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.0 p -106.4 141.48 37.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 168.97 13.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -152.77 170.33 20.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.42 -124.18 3.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -172.77 151.37 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.9 158.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 179.03 36.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -161.94 163.89 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.04 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -158.02 134.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.38 142.73 44.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -147.28 162.71 38.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.81 161.13 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 65.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 144.11 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.62 113.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.58 118.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.58 -55.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.6 111.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.65 109.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -101.83 118.71 37.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -144.42 78.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.97 159.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 158.73 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.26 162.36 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -62.49 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 153.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.45 169.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 33' ' ' LEU . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CG ' HD12 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' NE ' HG12 ' A' ' 73' ' ' ILE . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.461 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 61' ' ' MET . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 18.8 m-70 -66.76 -10.5 47.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 67' ' ' HIS . 3.2 mm-40 -132.59 61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.62 154.15 54.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -46.13 -57.51 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 HD11 ' CH2' ' A' ' 63' ' ' TRP . 1.3 tt -43.27 -35.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 73' ' ' ILE . 1.1 t70 -80.74 121.64 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -142.73 147.05 40.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.98 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.83 107.33 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.42 143.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -114.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.83 85.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -62.4 121.72 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -174.64 169.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.17 169.58 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.065 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.36 -176.1 33.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.05 171.07 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -175.18 163.39 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.49 -151.24 15.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -169.86 128.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.75 158.46 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.11 115.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -179.18 72.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.45 174.17 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 52.99 172.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.24 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -174.27 65.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.27 147.01 39.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.48 153.8 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 132.19 46.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -130.08 141.36 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -127.89 -134.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 69.26 -67.98 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.9 tt0 54.25 75.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 152.87 35.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.56 143.77 49.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.18 157.46 45.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.01 -59.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -91.4 149.79 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.529 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 57.4 t -44.08 164.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' N ' HG11 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.529 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 4.6 mt-30 -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.474 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' ' CD1' ' A' ' 65' ' ' ILE . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CD1' ' HE1' ' A' ' 61' ' ' MET . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 -54.48 -21.76 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -41.62 -41.69 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -97.07 46.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 23.4 t0 -127.15 124.95 23.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.14 20.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -123.47 73.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -46.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -63.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -133.01 147.04 63.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.05 158.83 41.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 mt 57.91 171.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -124.33 115.29 20.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.013 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 97.54 0.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 67.49 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.1 p -105.58 -50.88 3.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 p -103.45 147.01 27.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.01 170.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -159.71 170.44 21.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -169.85 28.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -129.05 170.58 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -136.17 170.44 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 -140.48 11.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -165.29 167.57 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.81 176.3 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.11 139.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -124.6 170.57 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.58 176.25 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.15 171.8 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.96 178.61 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 mttt 65.02 158.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.9 101.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 178.64 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.92 154.04 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 mmm -85.01 164.34 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.28 93.25 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.27 121.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -123.68 56.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.6 159.9 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 133.31 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.96 148.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.62 73.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.71 143.48 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 29' ' ' ASP . 46.0 t -70.31 166.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 57' ' ' VAL . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.444 ' CE ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 -57.32 -18.13 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.77 -44.59 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -46.35 125.55 7.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.12 18.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.6 p -111.94 71.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.99 -42.49 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -65.96 -57.68 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -168.86 155.62 6.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.57 131.39 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 m -77.97 116.83 18.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.57 157.12 19.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -63.16 152.35 37.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 p -106.39 157.97 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.37 165.28 4.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -174.2 169.54 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.73 -169.2 12.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -169.09 108.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 152.05 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.13 -69.38 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -66.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 66.46 133.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.7 t -144.91 69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -138.44 147.55 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -136.11 109.51 7.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -133.61 93.85 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -146.42 153.84 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 66.56 171.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.19 108.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.26 -53.48 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.48 74.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.3 ttp -128.54 144.27 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -157.55 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.18 161.91 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.59 138.49 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -172.43 158.01 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 153.87 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -144.97 152.41 40.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -110.84 -60.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.34 154.31 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 29' ' ' ASP . 61.1 t -42.79 163.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' CG ' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' CG ' HD23 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' HD3' ' CD1' ' A' ' 73' ' ' ILE . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' LYS . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.462 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 -55.31 -20.25 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -45.78 -40.37 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -76.69 -35.25 58.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.06 123.63 54.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -21.16 16.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.8 p -106.52 69.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.88 -41.42 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.36 94.8 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.64 156.36 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -54.84 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -150.23 73.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 -152.04 52.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.65 34.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -72.66 149.16 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -176.83 100.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -177.96 170.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 166.04 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.09 -166.16 11.0 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -140.43 170.48 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -150.9 157.0 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -158.16 14.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.26 158.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.61 -172.9 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.78 -104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.95 139.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.01 147.84 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -113.21 104.88 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.33 142.93 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.89 148.8 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.71 154.59 24.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.41 -61.01 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.31 83.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.87 166.51 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -125.9 -134.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -179.62 94.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -106.07 95.01 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.0 127.91 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.0 154.61 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -76.77 145.2 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -177.65 -45.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -144.46 161.37 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.21 170.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 -70.09 -10.67 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.42 -30.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.8 mt-10 -130.39 56.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.98 150.11 41.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.4 p -44.11 -54.89 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.3 tt -42.37 -36.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 75' ' ' THR . 22.0 t70 -87.06 -55.92 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.67 147.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.01 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 131.09 49.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.2 m -73.07 167.52 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.74 -153.14 20.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.63 4.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -115.92 108.36 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.3 m 55.61 85.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -169.97 153.3 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -177.02 170.23 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.47 -179.32 16.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 178.41 169.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.76 169.75 22.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.9 -173.99 44.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.64 162.88 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.37 160.0 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 m -129.46 -155.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -156.87 165.03 37.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.5 -78.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.15 165.06 24.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -153.28 135.95 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 166.64 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.55 -59.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -174.3 144.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 172.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -46.46 139.61 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 108.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.68 150.33 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.48 125.11 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.27 117.76 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.76 160.4 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.16 159.53 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.42 -66.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.7 mtt85 -68.33 139.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG12 ' CE ' ' A' ' 55' ' ' MET . 46.6 t -45.19 167.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' N ' HG11 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' A' ' 57' ' ' VAL . 4.6 mt-30 -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.486 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 -71.11 -10.3 59.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 65' ' ' ILE . . . -39.54 -30.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.1 mm-40 -125.43 58.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.19 142.81 28.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.82 2.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.76 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -61.69 -44.57 96.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 74' ' ' ASP . 1.7 tt -46.38 -32.83 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -88.4 115.11 25.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 30.1 m -46.36 143.65 3.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 -177.73 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.95 116.12 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -113.63 -59.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.88 -176.88 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.15 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.4 p -115.95 -57.72 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m 44.54 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.44 1.087 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.09 170.74 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -164.55 168.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.46 172.16 34.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.0 163.98 35.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -153.69 153.41 32.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.99 -138.79 7.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -178.51 116.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 148.2 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 m -147.25 -155.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -177.02 141.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.69 125.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -42.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 135.28 35.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.45 146.07 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.37 111.12 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -71.76 97.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.06 107.02 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.1 tpt -137.39 149.52 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.25 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -149.13 108.71 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.41 60.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -147.18 131.22 17.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.54 139.72 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.73 141.98 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.92 78.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.02 145.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.58 168.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' CG ' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' CG ' HD11 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 33' ' ' LEU . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.565 HD11 ' CZ2' ' A' ' 63' ' ' TRP . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 -74.87 -10.59 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.39 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.7 mt-10 -127.27 53.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.62 144.84 29.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -48.14 -49.89 30.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 HD13 ' CH2' ' A' ' 63' ' ' TRP . 1.4 tt -42.81 -34.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.65 126.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.483 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -42.18 147.09 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.02 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -134.72 149.28 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -153.77 89.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.47 -85.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.84 127.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.0 p -147.53 132.54 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -133.52 -58.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.736 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.9 168.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.44 -154.97 8.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 -59.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.87 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.22 152.49 21.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 178.95 151.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.02 158.91 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -171.39 137.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.93 158.59 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -138.28 171.95 13.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.03 155.44 29.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 162.2 15.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 124.1 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.67 151.53 49.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.04 132.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.26 84.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 153.52 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.52 109.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.3 -53.43 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 119.62 33.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.26 151.67 51.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.44 144.97 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -178.39 155.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -57.72 -66.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.28 144.78 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 29' ' ' ASP . 60.7 t -46.04 163.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' N ' HG11 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD21 ' CG ' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CG ' HD11 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' CG ' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -66.17 -11.06 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.08 -32.03 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.65 35.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -117.93 124.41 28.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -134.93 73.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.93 -50.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.88 168.22 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.5 m -74.9 143.53 78.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.94 100.55 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -42.62 126.82 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.96 74.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.69 -169.51 44.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 t -131.13 154.61 48.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.06 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m 61.84 156.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p -162.99 170.3 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -158.33 164.4 36.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 161.84 23.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 p -175.54 143.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 p -175.44 150.25 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 110.98 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -84.14 163.66 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.6 p -169.94 141.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -164.98 112.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 108.07 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -155.26 146.32 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -122.67 -63.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 68.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.57 71.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -172.37 109.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -176.04 119.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 99.3 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.15 114.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.66 102.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -123.12 161.23 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.69 156.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 148.29 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.59 24.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 67.29 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -109.19 149.1 29.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG11 ' CE ' ' A' ' 55' ' ' MET . 57.9 t -43.62 162.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB1' ' CE3' ' A' ' 63' ' ' TRP . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 -48.23 -24.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -40.23 -49.47 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -109.05 63.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 168.11 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.6 p -39.34 -54.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -60.9 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.7 OUTLIER 172.29 117.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.494 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.0 m -60.35 144.04 88.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.15 170.16 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.45 125.88 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -123.25 -167.64 12.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 134.98 18.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -162.96 112.0 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -57.06 158.75 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -165.98 157.53 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.4 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m 63.5 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.94 144.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.03 177.53 28.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 178.62 117.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.28 102.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.55 123.53 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 64.72 148.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -174.94 134.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.74 159.96 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.08 94.7 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -107.37 176.71 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.14 146.04 40.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -104.25 -56.44 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.79 84.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 19' ' ' MET . 5.9 tpt -159.04 25.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.77 111.09 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.67 110.04 13.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 57.54 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.33 149.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.91 170.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.21 136.28 52.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.73 147.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.01 164.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 51' ' ' GLN . 48.5 t -48.48 158.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 43' ' ' GLU . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.1 mm100 -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' HD11 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' HD23 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.461 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 41' ' ' PHE . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 -57.31 -17.88 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -51.94 -25.32 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -32.26 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.46 131.29 88.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -3.38 13.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -132.75 75.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.415 HD12 ' CB ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -105.04 -44.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.81 -64.88 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -143.21 147.07 39.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.92 107.63 2.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.89 90.19 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.43 70.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.5 178.75 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.0 m -99.78 -56.72 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -60.0 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 156.27 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.09 164.0 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 168.55 29.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -144.06 144.25 31.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -95.6 164.9 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.85 -176.25 14.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.38 105.64 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.78 115.74 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.4 m -121.36 103.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.44 151.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.95 165.04 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -134.06 138.74 45.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -64.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 -63.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.99 114.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -169.23 162.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.47 125.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -67.5 174.94 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -134.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -130.89 119.62 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -81.23 145.09 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.42 102.06 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.27 166.06 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.95 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 57.93 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 153.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 41.4 t -72.82 167.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' CD1' ' HG2' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CG ' HD12 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 63' ' ' TRP . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.549 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 -67.0 -10.42 49.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -39.77 -30.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -127.05 47.31 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -93.03 147.13 33.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.39 75.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.5 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.08 -25.13 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -142.01 94.77 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -52.44 147.1 14.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.96 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.2 mt -149.15 61.13 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -151.4 150.36 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 45.54 -161.88 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.64 12.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.15 106.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.4 t -167.06 150.85 6.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.95 -58.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 58.17 164.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.99 160.85 27.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.47 166.59 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -129.8 123.84 31.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 176.01 20.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -53.75 25.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.03 99.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.93 -18.45 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.02 143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 118.48 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -171.9 136.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -171.21 79.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.67 162.4 38.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.8 -62.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t30 61.78 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.28 -55.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.84 148.63 26.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 85.09 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.92 -56.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.4 55.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.85 112.37 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 139.24 58.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.59 100.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -111.18 -71.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.53 138.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' NE2' ' A' ' 51' ' ' GLN . 44.9 t -70.39 166.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' N ' HG13 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CG ' HD11 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NE ' HG12 ' A' ' 73' ' ' ILE . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.475 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' CE ' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.476 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.44 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.636 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 41' ' ' PHE . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 -66.52 -10.55 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' LEU . . . -39.9 -48.29 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.66 60.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.42 161.06 56.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.4 Cg_endo -74.96 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -43.1 -56.62 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.448 HD11 ' CB ' ' A' ' 67' ' ' HIS . 1.7 tt -42.39 -33.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' PRO . 39.5 t0 -98.34 115.53 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.492 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 2.6 m -111.82 147.1 36.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.2 Cg_endo -74.92 156.02 43.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.49 131.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.53 -54.87 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.88 -147.04 16.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.78 13.93 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.4 148.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -158.9 133.28 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.13 139.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -175.39 169.67 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 -179.63 48.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -171.77 169.0 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.3 167.78 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.85 -165.24 22.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.4 149.54 30.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.85 140.3 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.28 -156.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.94 158.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 64.46 147.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.13 113.51 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.22 132.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -89.17 73.09 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.63 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.4 t-20 62.57 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 179.46 158.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.4 ptm -159.71 138.84 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 175.48 107.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.28 95.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.9 52.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -150.3 163.53 38.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.02 162.69 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -64.62 136.89 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.24 139.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.08 170.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 29' ' ' ASP . 44.4 t -67.19 165.74 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.507 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB3' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.469 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.438 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.4 ' CD1' ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 -61.93 -14.46 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' NH2' ' A' ' 45' ' ' ARG . . . -40.45 -31.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.3 mm-40 -123.71 56.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.59 150.37 43.16 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -42.03 -55.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 HD12 ' CH2' ' A' ' 63' ' ' TRP . 1.3 tt -43.61 -38.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' PRO . 0.4 OUTLIER 171.63 145.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.2 m -69.29 143.61 93.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.08 145.45 31.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -118.45 157.77 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 m -99.95 -64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.83 -145.43 49.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 162.72 36.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.52 81.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.9 p -178.66 118.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 47' ' ' THR . 25.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.932 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 64' ' ' LEU . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 64' ' ' LEU . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.932 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 28' ' ' VAL . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.775 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.677 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 36' ' ' LEU . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.775 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 29' ' ' ASP . 37.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 28' ' ' VAL . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 43' ' ' GLU . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 64' ' ' LEU . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.761 ' CG ' HD21 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.452 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 41' ' ' PHE . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 63' ' ' TRP . 20.0 m-70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 29' ' ' ASP . 40.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 64' ' ' LEU . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 64' ' ' LEU . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.704 ' HG3' HD11 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.487 HG23 HG21 ' A' ' 28' ' ' VAL . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 35' ' ' GLN . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.718 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 36' ' ' LEU . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 62' ' ' GLU . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.805 HG21 HG23 ' A' ' 47' ' ' THR . 61.5 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CG ' HD13 ' A' ' 64' ' ' LEU . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.805 HG23 HG21 ' A' ' 28' ' ' VAL . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.675 ' HG2' HG22 ' A' ' 28' ' ' VAL . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.7 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.448 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 41' ' ' PHE . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 29' ' ' ASP . 35.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.589 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 33' ' ' LEU . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' HD13 ' A' ' 64' ' ' LEU . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 28' ' ' VAL . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 36' ' ' LEU . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 51' ' ' GLN . 44.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 33' ' ' LEU . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.623 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 51' ' ' GLN . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 52' ' ' LEU . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 36' ' ' LEU . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 28' ' ' VAL . 34.7 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 48' ' ' LYS . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.438 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.704 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 36' ' ' LEU . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 29' ' ' ASP . 34.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.618 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 64' ' ' LEU . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' LEU . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.64 ' HG2' HD11 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.611 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 1.6 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.445 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 35' ' ' GLN . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.784 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 41' ' ' PHE . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 62' ' ' GLU . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 HG21 ' A' ' 28' ' ' VAL . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.694 ' SD ' HD11 ' A' ' 65' ' ' ILE . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.606 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.694 HD11 ' SD ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 18.8 m-70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 37' ' ' THR . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.451 ' HE3' ' SD ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.863 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 28' ' ' VAL . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.639 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.634 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' ' 39' ' ' MET . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 65' ' ' ILE . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 41' ' ' PHE . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' A' ' 43' ' ' GLU . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.882 ' NE2' HG21 ' A' ' 57' ' ' VAL . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.614 ' HE2' ' SD ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.789 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 28' ' ' VAL . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.471 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG21 ' NE2' ' A' ' 35' ' ' GLN . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.614 ' SD ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 62' ' ' GLU . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 51' ' ' GLN . 61.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' A' ' 64' ' ' LEU . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.747 ' HG3' HD11 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.52 HG23 HG21 ' A' ' 28' ' ' VAL . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.72 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 65' ' ' ILE . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 62' ' ' GLU . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' LEU . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 64' ' ' LEU . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.877 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.6 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' N ' HG12 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 43' ' ' GLU . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.815 ' CD1' HD13 ' A' ' 64' ' ' LEU . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.751 ' HG3' HD11 ' A' ' 33' ' ' LEU . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HB3' HD21 ' A' ' 64' ' ' LEU . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.689 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.782 ' HG2' HG22 ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.672 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD13 ' CD1' ' A' ' 41' ' ' PHE . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 62' ' ' GLU . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 29' ' ' ASP . 45.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.634 ' CG ' HD13 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.705 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.413 HG23 HG21 ' A' ' 28' ' ' VAL . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 52' ' ' LEU . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 55' ' ' MET . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ALA . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.473 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 65' ' ' ILE . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 47' ' ' THR . 60.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 33' ' ' LEU . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CG ' HD13 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.506 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' CD ' HG22 ' A' ' 28' ' ' VAL . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.507 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' CG ' ' A' ' 41' ' ' PHE . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.718 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CG ' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.541 HG23 HG21 ' A' ' 28' ' ' VAL . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.718 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.707 ' HE1' HG13 ' A' ' 28' ' ' VAL . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.599 HG13 ' HE1' ' A' ' 55' ' ' MET . 48.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 60' ' ' ALA . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 33' ' ' LEU . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CG ' HD13 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.672 ' CG ' HD21 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.599 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.557 HD13 ' CG ' ' A' ' 41' ' ' PHE . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG21 HG23 ' A' ' 47' ' ' THR . 41.4 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.507 ' N ' HG12 ' A' ' 28' ' ' VAL . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD11 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.873 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.726 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 36' ' ' LEU . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 48' ' ' LYS . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.679 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.614 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 41' ' ' PHE . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 62' ' ' GLU . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.663 HG21 HG23 ' A' ' 47' ' ' THR . 44.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 60' ' ' ALA . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.499 ' HE2' HD23 ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.814 ' HG3' HD11 ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.663 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.778 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.54 ' HE1' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.778 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.663 HD13 ' CG ' ' A' ' 41' ' ' PHE . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG21 HG23 ' A' ' 47' ' ' THR . 44.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD11 ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' OE2' ' A' ' 43' ' ' GLU . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.869 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.836 ' HG3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.488 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.919 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.869 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.919 HD11 ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -159.95 123.33 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p 179.79 170.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.47 -137.03 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -178.45 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -73.29 96.73 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.83 -178.14 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.04 -55.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.87 158.1 4.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.6 p -174.66 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.66 140.49 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -152.81 131.38 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' N ' HD13 ' A' ' 12' ' ' LEU . 58.8 t80 -160.98 168.57 24.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.68 147.46 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 83.75 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.09 120.5 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 57.25 107.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.08 89.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 tpt -150.75 141.22 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -142.17 -113.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -163.5 137.14 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.44 153.85 19.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.42 111.86 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -115.92 149.63 38.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.14 175.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 167.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -40.61 160.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 47' ' ' THR . 25.6 t -65.0 170.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.932 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 64' ' ' LEU . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 64' ' ' LEU . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.932 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' NE ' HD11 ' A' ' 73' ' ' ILE . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 28' ' ' VAL . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.775 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.677 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 36' ' ' LEU . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.775 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 -77.37 -10.49 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -40.4 -31.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -123.53 58.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.08 144.36 33.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.7 p -43.69 -44.46 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HD11 ' NE ' ' A' ' 45' ' ' ARG . 1.2 tt -40.61 -34.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t0 60.33 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.776 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -135.64 146.97 59.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.0 179.08 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.6 171.01 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 m -125.06 86.74 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.98 -142.8 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -53.53 161.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.9 p 41.2 79.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.57 152.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 168.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.94 36.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -172.45 169.18 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -153.63 162.48 41.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.53 -163.22 9.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -163.73 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.91 170.41 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -168.75 142.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -123.98 168.29 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -142.38 176.24 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -124.21 160.74 27.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 169.56 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 160.52 37.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.47 143.68 39.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -136.6 160.72 37.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.81 166.19 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -148.75 135.52 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -141.92 -114.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.07 109.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.41 149.51 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.99 114.56 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.84 168.88 10.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.38 162.24 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 61.52 127.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.97 155.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 29' ' ' ASP . 37.3 t -73.22 168.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 28' ' ' VAL . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 43' ' ' GLU . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 64' ' ' LEU . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.761 ' CG ' HD21 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.452 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 41' ' ' PHE . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.694 ' HB3' HD12 ' A' ' 73' ' ' ILE . 20.0 m-70 -66.51 -10.72 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.21 -30.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.2 mt-10 -131.5 59.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -116.83 151.68 47.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.2 p -45.85 -57.45 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.5 tt -43.07 -39.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.55 169.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -147.61 146.92 26.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -119.6 134.12 55.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -136.31 -49.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.97 -145.47 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.89 34.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 p -126.11 -54.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -156.42 160.0 39.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 170.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 165.96 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.47 -173.01 40.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -170.93 141.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -178.96 150.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 -162.86 31.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 109.75 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.13 153.3 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.41 138.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.32 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.81 111.33 17.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -154.73 54.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -63.68 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 47.78 66.48 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.6 105.23 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -158.79 -59.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.22 83.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.4 152.27 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -136.42 -134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.568 ' H ' HD23 ' A' ' 20' ' ' LEU . 18.7 m-20 -111.4 -58.65 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.0 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.81 121.85 22.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.65 140.4 51.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -128.28 160.81 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -172.84 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 160.19 37.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 29' ' ' ASP . 40.2 t -70.11 168.23 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 64' ' ' LEU . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 64' ' ' LEU . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.704 ' HG3' HD11 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.487 HG23 HG21 ' A' ' 28' ' ' VAL . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 35' ' ' GLN . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.718 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 36' ' ' LEU . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 62' ' ' GLU . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 -67.39 -11.0 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.51 -33.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.4 mt-10 -126.23 58.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 73' ' ' ILE . 1.1 t0 -115.71 150.4 44.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.1 p -42.41 -57.68 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -42.05 -39.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -175.17 117.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 91.5 m -70.59 143.68 90.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.98 153.08 41.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.37 121.19 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -59.48 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.02 164.23 51.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -44.69 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 p -151.96 164.71 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.5 p 42.75 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.28 152.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 -58.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 118.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 169.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -165.36 151.94 10.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.04 -162.83 9.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 167.46 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.63 -21.9 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t 62.77 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.31 171.94 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.53 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.0 168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.42 147.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -173.26 128.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.93 162.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.58 116.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 128.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.29 102.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.91 100.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 177.5 165.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 56.71 103.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.34 100.0 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.34 145.64 48.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.51 112.0 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -175.29 -64.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 158.8 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.805 HG21 HG23 ' A' ' 47' ' ' THR . 61.5 t -44.9 165.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CG ' HD13 ' A' ' 64' ' ' LEU . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.805 HG23 HG21 ' A' ' 28' ' ' VAL . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.675 ' HG2' HG22 ' A' ' 28' ' ' VAL . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.7 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.448 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.794 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -77.3 -18.75 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -45.62 -30.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -106.31 43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.1 t0 -128.78 128.94 23.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.95 20.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.794 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.5 p -123.06 77.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -48.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.55 114.67 26.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 58.64 155.78 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.2 mt -101.79 121.46 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -88.63 112.85 23.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.49 157.28 32.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.36 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -83.95 -56.57 3.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.2 p -49.25 117.53 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p 179.04 158.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -167.44 169.6 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 -171.25 44.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -147.83 166.5 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.03 169.05 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 -136.69 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -163.54 162.03 24.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.14 170.94 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 p -163.81 139.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -96.53 163.18 13.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.94 174.94 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 9.5 p90 -107.1 168.92 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.74 -62.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -171.28 160.69 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.9 172.71 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -179.03 163.34 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.4 mp -121.02 -114.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.53 170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -126.96 82.49 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -143.0 161.02 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.29 157.71 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.88 131.22 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -135.32 113.07 10.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.3 165.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 29' ' ' ASP . 35.3 t -72.69 168.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.589 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 33' ' ' LEU . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' HD13 ' A' ' 64' ' ' LEU . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 28' ' ' VAL . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ALA . 22.0 m-70 -66.64 -10.57 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.31 -44.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.02 61.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -118.67 147.49 42.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 72' ' ' THR . 69.7 p -50.61 -45.64 57.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.4 tt -40.6 -32.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t70 60.74 152.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.659 HG23 ' HD2' ' A' ' 76' ' ' PRO . 16.6 m -132.46 145.44 57.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.99 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -56.55 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 p -105.15 111.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.43 -153.97 6.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.08 2.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 141.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.6 t -143.54 153.43 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -178.29 164.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -170.13 143.68 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.5 -110.94 2.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.55 123.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -176.92 135.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.68 6.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 127.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.67 170.67 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -147.64 128.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.4 153.12 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.5 134.07 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -172.29 151.56 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 165.52 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.01 139.83 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.93 138.21 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -154.42 153.16 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.69 172.18 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.2 tpt 60.14 149.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.79 113.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.03 139.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 122.72 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.08 119.64 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 163.29 13.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 161.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.4 -65.64 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -80.35 148.04 30.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 51' ' ' GLN . 44.7 t -58.58 168.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 33' ' ' LEU . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.623 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 51' ' ' GLN . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 52' ' ' LEU . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 36' ' ' LEU . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 28' ' ' VAL . 34.7 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 48' ' ' LYS . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.438 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.704 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 36' ' ' LEU . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 -67.06 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.37 -37.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.51 62.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.08 143.46 38.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.9 p -38.99 -38.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.2 tt -43.14 -45.24 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER 172.93 88.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.815 HG23 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.62 147.95 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.815 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.95 121.85 6.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.77 82.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -97.09 153.05 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.38 -85.01 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.73 40.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -80.34 102.34 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.3 t -133.19 94.64 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.86 168.43 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.18 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.22 175.62 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.74 162.98 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -161.18 126.33 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 164.27 12.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -175.96 107.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 91.01 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.6 p -137.79 119.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.77 131.63 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.69 151.34 22.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -138.54 146.76 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -138.02 128.67 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -100.09 -75.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.87 87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -145.87 -53.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.16 -36.95 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.5 ttp -69.72 145.23 52.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.32 -109.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.8 138.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.35 145.33 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -129.86 111.15 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.44 168.4 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.68 159.54 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 62.12 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.241 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.8 162.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 29' ' ' ASP . 34.1 t -68.88 169.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.618 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 64' ' ' LEU . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' LEU . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.64 ' HG2' HD11 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.611 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 1.6 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.445 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 35' ' ' GLN . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.784 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.864 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 62' ' ' GLU . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -50.02 -23.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.65 -46.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.5 -42.49 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -46.19 126.28 7.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 p -109.14 70.75 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -27.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.5 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.2 m -118.15 143.56 33.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.96 104.28 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.66 162.06 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -79.87 -54.69 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.24 -145.64 16.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.68 5.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.491 1.785 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -140.58 137.03 33.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.0 p -106.4 141.48 37.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 168.97 13.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -152.77 170.33 20.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.42 -124.18 3.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -172.77 151.37 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.9 158.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 179.03 36.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -161.94 163.89 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.04 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -158.02 134.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.38 142.73 44.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -147.28 162.71 38.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.81 161.13 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 65.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 144.11 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.62 113.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.58 118.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.58 -55.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.6 111.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.65 109.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -101.83 118.71 37.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -144.42 78.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.97 159.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 158.73 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.26 162.36 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -62.49 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 153.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.3 t -85.45 169.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' NE ' HG12 ' A' ' 73' ' ' ILE . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 HG21 ' A' ' 28' ' ' VAL . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.694 ' SD ' HD11 ' A' ' 65' ' ' ILE . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.606 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.694 HD11 ' SD ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.709 ' HB3' HD12 ' A' ' 73' ' ' ILE . 18.8 m-70 -66.76 -10.5 47.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 67' ' ' HIS . 3.2 mm-40 -132.59 61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -119.62 154.15 54.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -46.13 -57.51 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -43.27 -35.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.74 121.64 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.75 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -142.73 147.05 40.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.75 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.98 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.83 107.33 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.42 143.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -114.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.83 85.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -62.4 121.72 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -174.64 169.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.17 169.58 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.065 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.36 -176.1 33.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.05 171.07 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -175.18 163.39 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.49 -151.24 15.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -169.86 128.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.75 158.46 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.11 115.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.0 tt0 -179.18 72.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -174.45 174.17 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 52.99 172.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.24 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -174.27 65.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.27 147.01 39.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.48 153.8 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 132.19 46.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -130.08 141.36 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -127.89 -134.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' H ' HD23 ' A' ' 20' ' ' LEU . 1.1 t0 69.26 -67.98 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.9 tt0 54.25 75.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 152.87 35.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.56 143.77 49.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.18 157.46 45.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.01 -59.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -91.4 149.79 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.4 t -44.08 164.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 37' ' ' THR . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.451 ' HE3' ' SD ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.863 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 28' ' ' VAL . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.639 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.634 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' ' 39' ' ' MET . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 65' ' ' ILE . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.902 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 -54.48 -21.76 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -41.62 -41.69 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -97.07 46.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 23.4 t0 -127.15 124.95 23.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.14 20.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -123.47 73.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -46.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -63.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.763 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -133.01 147.04 63.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.763 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.05 158.83 41.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 mt 57.91 171.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -124.33 115.29 20.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.013 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 97.54 0.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 67.49 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.1 p -105.58 -50.88 3.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 p -103.45 147.01 27.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.01 170.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -159.71 170.44 21.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -169.85 28.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -129.05 170.58 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -136.17 170.44 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 -140.48 11.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -165.29 167.57 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.81 176.3 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.11 139.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -124.6 170.57 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.58 176.25 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.15 171.8 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.96 178.61 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 mttt 65.02 158.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.9 101.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 178.64 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.92 154.04 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 mmm -85.01 164.34 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.28 93.25 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.27 121.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -123.68 56.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.6 159.9 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 133.31 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.96 148.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.62 73.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.71 143.48 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.0 t -70.31 166.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' A' ' 43' ' ' GLU . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.882 ' NE2' HG21 ' A' ' 57' ' ' VAL . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.614 ' HE2' ' SD ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.789 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 28' ' ' VAL . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.471 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG21 ' NE2' ' A' ' 35' ' ' GLN . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.614 ' SD ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 62' ' ' GLU . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 -57.32 -18.13 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.77 -44.59 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -46.35 125.55 7.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.12 18.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.6 p -111.94 71.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.99 -42.49 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -65.96 -57.68 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -168.86 155.62 6.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.57 131.39 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 m -77.97 116.83 18.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.57 157.12 19.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -63.16 152.35 37.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 p -106.39 157.97 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.37 165.28 4.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -174.2 169.54 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.73 -169.2 12.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -169.09 108.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 152.05 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.13 -69.38 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -66.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 66.46 133.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 10' ' ' VAL . 53.7 t -144.91 69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -138.44 147.55 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 14' ' ' LYS . 8.2 tp -136.11 109.51 7.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -133.61 93.85 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HE2' HD11 ' A' ' 12' ' ' LEU . 1.5 pttp -146.42 153.84 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 66.56 171.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.19 108.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.26 -53.48 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.48 74.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.464 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 ttp -128.54 144.27 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 19' ' ' MET . 2.9 mp -157.55 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.18 161.91 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.59 138.49 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -172.43 158.01 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 153.87 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -144.97 152.41 40.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -110.84 -60.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.34 154.31 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 51' ' ' GLN . 61.1 t -42.79 163.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' A' ' 64' ' ' LEU . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.747 ' HG3' HD11 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' HD3' ' CD1' ' A' ' 73' ' ' ILE . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.52 HG23 HG21 ' A' ' 28' ' ' VAL . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.72 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 65' ' ' ILE . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.916 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 62' ' ' GLU . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 -55.31 -20.25 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.916 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -45.78 -40.37 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -76.69 -35.25 58.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.06 123.63 54.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -21.16 16.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.8 p -106.52 69.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.88 -41.42 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -116.36 94.8 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER 60.64 156.36 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -54.84 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -150.23 73.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 -152.04 52.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.65 34.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -72.66 149.16 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -176.83 100.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -177.96 170.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 166.04 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.09 -166.16 11.0 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -140.43 170.48 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -150.9 157.0 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -158.16 14.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.26 158.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.61 -172.9 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -135.78 -104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -177.95 139.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.01 147.84 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -113.21 104.88 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.33 142.93 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.89 148.8 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.71 154.59 24.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.41 -61.01 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.31 83.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.598 ' HE2' ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -168.87 166.51 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' H ' ' HE2' ' A' ' 19' ' ' MET . 1.6 tp -125.9 -134.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -179.62 94.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -106.07 95.01 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.0 127.91 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.0 154.61 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -76.77 145.2 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -177.65 -45.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -144.46 161.37 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.7 t -79.21 170.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' LEU . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 64' ' ' LEU . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.493 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.877 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 -70.09 -10.67 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -40.42 -30.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.8 mt-10 -130.39 56.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -110.98 150.11 41.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.4 p -44.11 -54.89 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -42.37 -36.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 75' ' ' THR . 22.0 t70 -87.06 -55.92 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.827 HG23 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.67 147.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.827 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.01 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 131.09 49.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.2 m -73.07 167.52 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.74 -153.14 20.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.63 4.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -115.92 108.36 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.3 m 55.61 85.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -169.97 153.3 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -177.02 170.23 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.47 -179.32 16.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 178.41 169.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.76 169.75 22.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.9 -173.99 44.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.64 162.88 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.37 160.0 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 11' ' ' GLU . 9.8 m -129.46 -155.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 10' ' ' VAL . 1.1 mt-10 -156.87 165.03 37.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.5 -78.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.15 165.06 24.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -153.28 135.95 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 166.64 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.55 -59.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -174.3 144.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 172.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -46.46 139.61 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 108.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.68 150.33 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.48 125.11 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.27 117.76 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.76 160.4 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.16 159.53 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.42 -66.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.7 mtt85 -68.33 139.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.6 t -45.19 167.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' N ' HG12 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 43' ' ' GLU . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.815 ' CD1' HD13 ' A' ' 64' ' ' LEU . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.751 ' HG3' HD11 ' A' ' 33' ' ' LEU . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HB3' HD21 ' A' ' 64' ' ' LEU . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.689 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.782 ' HG2' HG22 ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.672 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD13 ' CD1' ' A' ' 41' ' ' PHE . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 62' ' ' GLU . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 -71.11 -10.3 59.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -39.54 -30.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.1 mm-40 -125.43 58.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.581 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -114.19 142.81 28.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.82 2.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.76 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -61.69 -44.57 96.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.7 tt -46.38 -32.83 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.4 115.11 25.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 30.1 m -46.36 143.65 3.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 -177.73 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.95 116.12 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -113.63 -59.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.88 -176.88 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.15 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.4 p -115.95 -57.72 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m 44.54 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.44 1.087 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.09 170.74 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -164.55 168.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.46 172.16 34.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.0 163.98 35.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -153.69 153.41 32.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.99 -138.79 7.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -178.51 116.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 148.2 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 11' ' ' GLU . 6.4 m -147.25 -155.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 10' ' ' VAL . 10.0 pt-20 -177.02 141.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.69 125.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -42.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 135.28 35.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.45 146.07 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.37 111.12 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -71.76 97.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.06 107.02 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.1 tpt -137.39 149.52 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.25 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -149.13 108.71 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.41 60.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -147.18 131.22 17.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.54 139.72 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.73 141.98 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.92 78.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.02 145.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 29' ' ' ASP . 45.0 t -58.58 168.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.634 ' CG ' HD13 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.705 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.413 HG23 HG21 ' A' ' 28' ' ' VAL . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 52' ' ' LEU . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 55' ' ' MET . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ALA . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.473 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 65' ' ' ILE . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 -74.87 -10.59 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.39 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.7 mt-10 -127.27 53.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -106.62 144.84 29.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -48.14 -49.89 30.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.4 tt -42.81 -34.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.65 126.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.753 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -42.18 147.09 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.753 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.02 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -134.72 149.28 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -153.77 89.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.47 -85.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.84 127.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.0 p -147.53 132.54 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -133.52 -58.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.736 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.9 168.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.44 -154.97 8.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 -59.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.87 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.22 152.49 21.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 178.95 151.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.02 158.91 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -171.39 137.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.93 158.59 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -138.28 171.95 13.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.03 155.44 29.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 162.2 15.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 124.1 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.67 151.53 49.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.04 132.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.26 84.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 153.52 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.52 109.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.3 -53.43 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 119.62 33.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.26 151.67 51.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.44 144.97 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -178.39 155.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -57.72 -66.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.28 144.78 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 47' ' ' THR . 60.7 t -46.04 163.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 33' ' ' LEU . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CG ' HD13 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.506 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' CD ' HG22 ' A' ' 28' ' ' VAL . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.507 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -66.17 -11.06 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -50.08 -32.03 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.65 35.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -117.93 124.41 28.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -134.93 73.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.93 -50.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.88 168.22 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.5 m -74.9 143.53 78.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.94 100.55 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -42.62 126.82 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.96 74.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.69 -169.51 44.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 t -131.13 154.61 48.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.06 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m 61.84 156.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p -162.99 170.3 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -158.33 164.4 36.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 161.84 23.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 p -175.54 143.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 p -175.44 150.25 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 110.98 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -84.14 163.66 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.6 p -169.94 141.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -164.98 112.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 108.07 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -155.26 146.32 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -122.67 -63.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 68.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.57 71.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -172.37 109.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -176.04 119.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 99.3 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.15 114.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.66 102.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -123.12 161.23 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.69 156.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 148.29 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.59 24.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 67.29 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -109.19 149.1 29.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.718 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.9 t -43.62 162.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CG ' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.541 HG23 HG21 ' A' ' 28' ' ' VAL . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.718 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.707 ' HE1' HG13 ' A' ' 28' ' ' VAL . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.895 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 -48.23 -24.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.895 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.23 -49.47 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -109.05 63.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 168.11 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 72' ' ' THR . 82.6 p -39.34 -54.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.29 117.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.0 m -60.35 144.04 88.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.15 170.16 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.45 125.88 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -123.25 -167.64 12.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 134.98 18.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -162.96 112.0 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -57.06 158.75 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -165.98 157.53 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.4 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m 63.5 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.94 144.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.03 177.53 28.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 178.62 117.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.28 102.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.55 123.53 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 64.72 148.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -174.94 134.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.74 159.96 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.08 94.7 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -107.37 176.71 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.14 146.04 40.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -104.25 -56.44 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.79 84.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' MET . 5.9 tpt -159.04 25.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.77 111.09 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.67 110.04 13.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 57.54 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.33 149.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.91 170.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.21 136.28 52.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.73 147.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.01 164.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.599 HG13 ' HE1' ' A' ' 55' ' ' MET . 48.5 t -48.48 158.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 60' ' ' ALA . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 33' ' ' LEU . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CG ' HD13 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.672 ' CG ' HD21 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.599 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.977 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 -57.31 -17.88 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.977 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -51.94 -25.32 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -32.26 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.46 131.29 88.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -3.38 13.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -132.75 75.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -105.04 -44.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.81 -64.88 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.755 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -143.21 147.07 39.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.92 107.63 2.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.89 90.19 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.43 70.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.5 178.75 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.0 m -99.78 -56.72 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -60.0 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 156.27 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.09 164.0 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 168.55 29.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -144.06 144.25 31.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -95.6 164.9 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.85 -176.25 14.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.38 105.64 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.78 115.74 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.4 m -121.36 103.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.44 151.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.95 165.04 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -134.06 138.74 45.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -64.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 -63.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.99 114.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -169.23 162.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.47 125.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -67.5 174.94 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -131.49 -134.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.584 ' H ' HD23 ' A' ' 20' ' ' LEU . 24.8 m-20 -130.89 119.62 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -81.23 145.09 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.42 102.06 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.27 166.06 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.95 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 57.93 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 153.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG21 HG23 ' A' ' 47' ' ' THR . 41.4 t -72.82 167.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' N ' HG12 ' A' ' 28' ' ' VAL . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD11 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.873 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.726 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 36' ' ' LEU . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 48' ' ' LYS . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.679 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.614 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.907 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 62' ' ' GLU . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 -67.0 -10.42 49.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -39.77 -30.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -127.05 47.31 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -93.03 147.13 33.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.39 75.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.54 HD12 ' CH2' ' A' ' 63' ' ' TRP . 0.3 OUTLIER -104.08 -25.13 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -142.01 94.77 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.775 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -52.44 147.1 14.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.96 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 77' ' ' LEU . 11.2 mt -149.15 61.13 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -151.4 150.36 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 45.54 -161.88 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.64 12.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.15 106.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.4 t -167.06 150.85 6.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.95 -58.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 58.17 164.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.99 160.85 27.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.47 166.59 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -129.8 123.84 31.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 176.01 20.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -53.75 25.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.03 99.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.93 -18.45 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.02 143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 118.48 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -171.9 136.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -171.21 79.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.67 162.4 38.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.8 -62.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t30 61.78 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.28 -55.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.411 ' HE3' ' H ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -104.84 148.63 26.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 85.09 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' H ' ' HE3' ' A' ' 19' ' ' MET . 1.0 OUTLIER -148.92 -56.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.4 55.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.85 112.37 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 139.24 58.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.59 100.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -111.18 -71.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.53 138.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.663 HG21 HG23 ' A' ' 47' ' ' THR . 44.9 t -70.39 166.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 60' ' ' ALA . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.499 ' HE2' HD23 ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.814 ' HG3' HD11 ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' NE ' HG12 ' A' ' 73' ' ' ILE . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.663 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.778 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.54 ' HE1' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.778 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.953 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 -66.52 -10.55 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -39.9 -48.29 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.66 60.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -127.42 161.06 56.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.4 Cg_endo -74.96 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -43.1 -56.62 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.7 tt -42.39 -33.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' PRO . 39.5 t0 -98.34 115.53 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 76' ' ' PRO . 2.6 m -111.82 147.1 36.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.2 Cg_endo -74.92 156.02 43.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.49 131.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.53 -54.87 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.88 -147.04 16.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.78 13.93 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.4 148.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -158.9 133.28 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.13 139.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -175.39 169.67 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 -179.63 48.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -171.77 169.0 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.3 167.78 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.85 -165.24 22.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.4 149.54 30.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.85 140.3 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.28 -156.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.94 158.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 64.46 147.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.13 113.51 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.22 132.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -89.17 73.09 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.63 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.4 t-20 62.57 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 179.46 158.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.668 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.4 ptm -159.71 138.84 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 19' ' ' MET . 0.0 OUTLIER 175.48 107.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.28 95.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.9 52.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -150.3 163.53 38.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.02 162.69 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -64.62 136.89 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.24 139.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.08 170.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG21 HG23 ' A' ' 47' ' ' THR . 44.4 t -67.19 165.74 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD11 ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' OE2' ' A' ' 43' ' ' GLU . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.869 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.836 ' HG3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.488 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.919 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.869 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.919 HD11 ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 -61.93 -14.46 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.831 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.45 -31.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.3 mm-40 -123.71 56.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -113.59 150.37 43.16 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -42.03 -55.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.3 tt -43.61 -38.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' PRO . 0.4 OUTLIER 171.63 145.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.2 m -69.29 143.61 93.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.08 145.45 31.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -118.45 157.77 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 m -99.95 -64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.83 -145.43 49.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 162.72 36.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.52 81.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.9 p -178.66 118.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 47' ' ' THR . 25.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.932 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 64' ' ' LEU . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 64' ' ' LEU . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.932 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 28' ' ' VAL . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.775 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.677 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 36' ' ' LEU . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.775 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 29' ' ' ASP . 37.3 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 28' ' ' VAL . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 43' ' ' GLU . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 64' ' ' LEU . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.761 ' CG ' HD21 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.452 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 41' ' ' PHE . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 63' ' ' TRP . 20.0 m-70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 29' ' ' ASP . 40.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.4 mt-30 -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 64' ' ' LEU . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 64' ' ' LEU . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.704 ' HG3' HD11 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.487 HG23 HG21 ' A' ' 28' ' ' VAL . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 35' ' ' GLN . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.718 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 36' ' ' LEU . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 62' ' ' GLU . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.805 HG21 HG23 ' A' ' 47' ' ' THR . 61.5 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.554 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CG ' HD13 ' A' ' 64' ' ' LEU . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.805 HG23 HG21 ' A' ' 28' ' ' VAL . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.675 ' HG2' HG22 ' A' ' 28' ' ' VAL . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.7 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.448 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 41' ' ' PHE . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 29' ' ' ASP . 35.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.589 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mt-30 -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 33' ' ' LEU . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' HD13 ' A' ' 64' ' ' LEU . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 28' ' ' VAL . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 36' ' ' LEU . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 51' ' ' GLN . 44.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 33' ' ' LEU . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.623 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 45' ' ' ARG . 4.2 t30 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' N ' HD22 ' A' ' 44' ' ' ASN . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.785 HG22 HE21 ' A' ' 51' ' ' GLN . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 52' ' ' LEU . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 36' ' ' LEU . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.785 HE21 HG22 ' A' ' 47' ' ' THR . 68.0 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 48' ' ' LYS . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.438 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.704 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 36' ' ' LEU . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 29' ' ' ASP . 34.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.618 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 64' ' ' LEU . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' LEU . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.64 ' HG2' HD11 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.611 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 13.5 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.445 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 35' ' ' GLN . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.784 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 41' ' ' PHE . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 62' ' ' GLU . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mt-30 -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 HG21 ' A' ' 28' ' ' VAL . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.694 ' SD ' HD11 ' A' ' 65' ' ' ILE . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.606 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.694 HD11 ' SD ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 18.8 m-70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.4 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 37' ' ' THR . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.451 ' HE3' ' SD ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.863 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 28' ' ' VAL . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.639 ' HG2' HG22 ' A' ' 28' ' ' VAL . 4.6 mt-30 -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.634 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' ' 39' ' ' MET . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 65' ' ' ILE . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 41' ' ' PHE . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' A' ' 43' ' ' GLU . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.882 ' NE2' HG21 ' A' ' 57' ' ' VAL . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.614 ' HE2' ' SD ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.789 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 28' ' ' VAL . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.471 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG21 ' NE2' ' A' ' 35' ' ' GLN . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.614 ' SD ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 62' ' ' GLU . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 51' ' ' GLN . 61.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' A' ' 64' ' ' LEU . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.747 ' HG3' HD11 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.52 HG23 HG21 ' A' ' 28' ' ' VAL . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLN . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.72 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 65' ' ' ILE . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 62' ' ' GLU . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.531 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.782 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' LEU . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 64' ' ' LEU . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.877 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.6 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.513 ' N ' HG12 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 43' ' ' GLU . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.446 ' NE2' HG21 ' A' ' 57' ' ' VAL . 4.6 mt-30 -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.815 ' CD1' HD13 ' A' ' 64' ' ' LEU . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.751 ' HG3' HD11 ' A' ' 33' ' ' LEU . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HB3' HD21 ' A' ' 64' ' ' LEU . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.689 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.782 ' HG2' HG22 ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.672 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD13 ' CD1' ' A' ' 41' ' ' PHE . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 62' ' ' GLU . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 29' ' ' ASP . 45.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.634 ' CG ' HD13 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.705 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.413 HG23 HG21 ' A' ' 28' ' ' VAL . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 52' ' ' LEU . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 55' ' ' MET . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ALA . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.473 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 65' ' ' ILE . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 47' ' ' THR . 60.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 33' ' ' LEU . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CG ' HD13 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.506 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.435 ' CD ' HG22 ' A' ' 28' ' ' VAL . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.507 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' CG ' ' A' ' 41' ' ' PHE . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.718 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CG ' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.541 HG23 HG21 ' A' ' 28' ' ' VAL . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.718 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.707 ' HE1' HG13 ' A' ' 28' ' ' VAL . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 45' ' ' ARG . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.599 HG13 ' HE1' ' A' ' 55' ' ' MET . 48.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mm100 -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 60' ' ' ALA . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 33' ' ' LEU . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CG ' HD13 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.672 ' CG ' HD21 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.599 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.557 HD13 ' CG ' ' A' ' 41' ' ' PHE . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG21 HG23 ' A' ' 47' ' ' THR . 41.4 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.507 ' N ' HG12 ' A' ' 28' ' ' VAL . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 57' ' ' VAL . 4.0 mt-30 -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD11 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.873 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.726 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 36' ' ' LEU . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 48' ' ' LYS . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.679 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.614 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 41' ' ' PHE . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 62' ' ' GLU . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.663 HG21 HG23 ' A' ' 47' ' ' THR . 44.9 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.9 mt-30 -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 60' ' ' ALA . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.499 ' HE2' HD23 ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.814 ' HG3' HD11 ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.663 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.778 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.54 ' HE1' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.778 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.663 HD13 ' CG ' ' A' ' 41' ' ' PHE . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG21 HG23 ' A' ' 47' ' ' THR . 44.4 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD11 ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' OE2' ' A' ' 43' ' ' GLU . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.869 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.836 ' HG3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.488 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.919 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.869 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.919 HD11 ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -159.95 123.33 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p 179.79 170.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.47 -137.03 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -178.45 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 m -73.29 96.73 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.83 -178.14 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -164.04 -55.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.87 158.1 4.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 10' ' ' VAL . 7.6 p -174.66 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.66 140.49 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -152.81 131.38 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' N ' HD13 ' A' ' 12' ' ' LEU . 58.8 t80 -160.98 168.57 24.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.68 147.46 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 83.75 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.09 120.5 27.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 57.25 107.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.08 89.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 tpt -150.75 141.22 22.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -142.17 -113.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -163.5 137.14 5.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.44 153.85 19.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.42 111.86 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -115.92 149.63 38.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 t70 67.14 175.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.9 167.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -40.61 160.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG21 HG23 ' A' ' 47' ' ' THR . 25.6 t -65.0 170.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.4 t70 -91.04 133.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 11.0 pt-20 -86.22 -41.29 14.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -49.92 -44.54 50.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -72.7 -50.98 21.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.932 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.8 tp -47.16 -49.01 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -51.0 25.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.4 -54.3 22.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD22 HD12 ' A' ' 64' ' ' LEU . 16.6 mt -61.52 -63.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 p -49.81 -23.89 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ARG . 3.7 mm-40 -80.63 -30.18 36.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mmm -68.82 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 167.32 44.78 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 64' ' ' LEU . 36.1 m-85 -130.64 152.78 81.03 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.97 25.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.932 ' CG ' HD21 ' A' ' 33' ' ' LEU . 1.4 tt0 -49.51 -53.68 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -42.0 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' NE ' HD11 ' A' ' 73' ' ' ILE . 50.9 mtp180 -50.35 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.8 -52.37 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.665 HG23 HG21 ' A' ' 28' ' ' VAL . 2.5 m -56.6 -58.97 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -60.19 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -47.13 -51.8 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.2 mt -47.22 -57.44 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.441 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -50.66 -32.62 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -83.51 -23.91 31.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.532 HD22 ' N ' ' A' ' 53' ' ' ASN . 1.7 m-80 -106.94 39.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASN . 29.1 m170 38.5 40.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.31 59.83 3.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -108.63 135.82 49.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.949 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -75.94 -47.29 3.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -60.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -44.78 -59.77 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.13 -53.33 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.6 ttm -37.39 -58.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.775 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -56.69 -50.84 70.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.677 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 11.7 t90 -54.08 -39.87 66.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 HD22 ' A' ' 36' ' ' LEU . 32.0 mt -68.06 -34.44 76.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.775 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.1 mt -71.74 -51.89 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -46.85 87.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.631 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 17.5 m-70 -77.37 -10.49 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.646 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -40.4 -31.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.5 OUTLIER -123.53 58.76 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.452 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -117.08 144.36 33.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 58.7 p -43.69 -44.46 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HD11 ' NE ' ' A' ' 45' ' ' ARG . 1.2 tt -40.61 -34.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t0 60.33 111.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.776 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -135.64 146.97 59.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.776 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.0 179.08 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 mt -89.6 171.01 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 m -125.06 86.74 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.98 -142.8 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -53.53 161.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.9 p 41.2 79.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.57 152.6 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 168.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.74 175.94 36.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -172.45 169.18 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -153.63 162.48 41.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.53 -163.22 9.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -163.73 167.8 20.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.91 170.41 21.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -168.75 142.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -123.98 168.29 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -142.38 176.24 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -124.21 160.74 27.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.72 169.56 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 160.52 37.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.47 143.68 39.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -136.6 160.72 37.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.81 166.19 25.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -148.75 135.52 19.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -141.92 -114.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.07 109.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.41 149.51 45.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.99 114.56 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.84 168.88 10.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.38 162.24 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 61.52 127.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.97 155.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 29' ' ' ASP . 37.3 t -73.22 168.48 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.52 ' N ' HG12 ' A' ' 28' ' ' VAL . 1.5 t70 -88.73 125.47 34.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.19 -39.03 60.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 29' ' ' ASP . . . -50.41 -58.59 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.24 -58.37 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.0 tp -40.38 -44.53 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.4 67.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -49.64 -50.21 44.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.6 mt -63.62 -66.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.454 HG21 ' HG3' ' A' ' 43' ' ' GLU . 22.6 p -43.94 -38.45 3.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.38 -38.87 81.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.7 OUTLIER -63.49 -51.93 63.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.17 56.89 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 64' ' ' LEU . 59.3 m-85 -136.31 153.49 76.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.761 ' CG ' HD21 ' A' ' 33' ' ' LEU . 7.5 tt0 -45.82 -44.28 14.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -47.15 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -61.83 -54.94 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.27 -50.22 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.6 m -55.55 -52.31 64.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -59.11 -63.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -40.39 -55.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.2 mt -40.13 -63.83 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.8 mt-30 -43.94 -60.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.62 -23.96 53.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.3 m-80 -105.53 35.74 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.38 46.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 49.96 61.19 3.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -108.59 138.0 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.596 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -76.86 -46.88 2.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -64.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.81 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 10.3 mm100 -42.35 -61.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.74 -54.06 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.452 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 0.6 OUTLIER -39.27 -67.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' ILE . 2.5 mt-10 -49.45 -49.16 46.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.667 ' CE2' ' CE1' ' A' ' 67' ' ' HIS . 26.3 t90 -52.1 -34.76 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD13 ' CD1' ' A' ' 41' ' ' PHE . 11.8 mt -77.23 -28.9 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 83.3 mt -74.62 -35.06 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.15 -54.32 6.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.694 ' HB3' HD12 ' A' ' 73' ' ' ILE . 20.0 m-70 -66.51 -10.72 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.21 -30.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.2 mt-10 -131.5 59.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -116.83 151.68 47.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.45 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.2 p -45.85 -57.45 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.5 tt -43.07 -39.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t70 59.55 169.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -147.61 146.92 26.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.02 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.757 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -119.6 134.12 55.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -136.31 -49.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.97 -145.47 10.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 147.89 34.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 p -126.11 -54.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.9 m -156.42 160.0 39.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.45 170.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.787 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 165.96 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.47 -173.01 40.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -170.93 141.49 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -178.96 150.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.01 -162.86 31.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 109.75 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.13 153.3 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -163.41 138.2 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.32 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.81 111.33 17.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -154.73 54.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.98 -63.68 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 47.78 66.48 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.6 105.23 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -158.79 -59.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 45.22 83.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -157.4 152.27 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -136.42 -134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.568 ' H ' HD23 ' A' ' 20' ' ' LEU . 18.7 m-20 -111.4 -58.65 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.0 85.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.81 121.85 22.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.65 140.4 51.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -128.28 160.81 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -172.84 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 160.19 37.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 29' ' ' ASP . 40.2 t -70.11 168.23 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.7 t0 -88.98 138.67 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.17 -41.96 15.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.65 -56.73 9.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 -56.6 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.4 tp -40.58 -55.98 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -43.7 -50.27 7.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.612 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.4 mt-30 -47.95 -54.82 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 64' ' ' LEU . 17.0 mt -61.2 -66.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -46.29 -25.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mm-40 -75.67 -38.6 58.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.34 -59.36 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.91 53.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 64' ' ' LEU . 96.8 m-85 -132.57 153.08 81.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.559 0.799 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.55 8.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.542 1.811 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.704 ' HG3' HD11 ' A' ' 33' ' ' LEU . 8.5 tt0 -45.58 -40.58 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.07 -66.07 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -61.47 -59.19 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.16 -48.32 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.487 HG23 HG21 ' A' ' 28' ' ' VAL . 4.1 m -58.29 -55.85 29.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.15 -60.31 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -42.99 -45.48 5.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.7 mt -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 15.3 mt-30 -45.94 -48.46 16.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.18 -25.59 64.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.5 m-80 -103.3 37.16 2.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.7 OUTLIER 38.49 45.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.639 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 49.6 61.54 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -109.99 136.92 48.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 35' ' ' GLN . 2.0 t -76.84 -46.53 2.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.07 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 8.1 mm-40 -42.44 -59.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -39.86 -54.13 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.718 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.58 -66.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -48.56 -48.71 38.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 47.9 t90 -55.79 -36.06 66.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 36' ' ' LEU . 33.7 mt -75.08 -25.25 58.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 62' ' ' GLU . 18.1 mt -82.21 -37.89 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -55.99 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.581 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.3 m-70 -67.39 -11.0 56.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.51 -33.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' HIS . 2.4 mt-10 -126.23 58.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 73' ' ' ILE . 1.1 t0 -115.71 150.4 44.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.1 p -42.41 -57.68 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -42.05 -39.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -175.17 117.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 91.5 m -70.59 143.68 90.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.98 153.08 41.63 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.37 121.19 3.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -59.48 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.02 164.23 51.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -44.69 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 p -151.96 164.71 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 96.5 p 42.75 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.28 152.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.42 -58.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.39 118.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.0 169.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -165.36 151.94 10.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.051 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.04 -162.83 9.7 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 167.46 19.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.63 -21.9 11.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t 62.77 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.31 171.94 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.53 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 60.0 168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.42 147.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -173.26 128.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.93 162.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 179.58 116.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 128.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.29 102.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.91 100.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 177.5 165.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 56.71 103.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.34 100.0 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.34 145.64 48.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.51 112.0 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -175.29 -64.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 158.8 35.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.805 HG21 HG23 ' A' ' 47' ' ' THR . 61.5 t -44.9 165.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.04 140.62 32.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -90.02 -44.98 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.12 -47.94 53.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.554 ' CB ' HG23 ' A' ' 57' ' ' VAL . . . -68.8 -50.23 51.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 43' ' ' GLU . 62.4 tp -45.29 -47.09 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -52.36 -50.29 62.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -51.05 -52.58 41.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' MET . 29.2 mt -59.14 -63.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.0 p -52.52 -21.07 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.1 mt-10 -83.36 -21.86 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.428 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.6 OUTLIER -80.21 -66.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 163.73 52.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.481 ' CG ' HD13 ' A' ' 64' ' ' LEU . 56.8 m-85 -139.6 153.32 70.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.462 0.742 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CG ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CG ' HD21 ' A' ' 33' ' ' LEU . 5.8 tt0 -49.1 -56.06 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -43.4 -59.59 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HG2' ' A' ' 42' ' ' PRO . 59.2 mtt180 -57.66 -65.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.239 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.41 -51.29 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.805 HG23 HG21 ' A' ' 28' ' ' VAL . 1.3 m -55.89 -56.72 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -46.66 -64.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -44.82 -54.52 6.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -44.96 -43.71 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.675 ' HG2' HG22 ' A' ' 28' ' ' VAL . 9.3 mt-30 -65.53 -34.89 79.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.0 mt -96.07 13.08 28.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -133.75 34.56 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.6 t60 40.23 30.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.645 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.7 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.2 mmt 70.19 48.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.702 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.0 t -98.87 137.11 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.94 -47.53 2.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.03 -64.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm-40 -42.47 -44.93 4.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.42 -53.01 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.448 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.9 ttm -47.37 -55.03 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -52.59 -49.35 65.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.765 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 14.1 t90 -55.39 -40.98 72.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.794 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 49.2 mt -64.2 -35.86 82.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.7 mt -71.78 -33.65 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -50.79 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.765 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -77.3 -18.75 57.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -45.62 -30.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -106.31 43.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 17.1 t0 -128.78 128.94 23.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.95 20.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.794 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 65.5 p -123.06 77.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -48.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.55 114.67 26.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 58.64 155.78 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.2 mt -101.79 121.46 42.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -88.63 112.85 23.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.49 157.28 32.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.36 38.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -83.95 -56.57 3.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.045 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.2 p -49.25 117.53 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p 179.04 158.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -167.44 169.6 12.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 -171.25 44.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -147.83 166.5 27.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.03 169.05 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.034 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 -136.69 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -163.54 162.03 24.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.14 170.94 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 p -163.81 139.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -96.53 163.18 13.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.94 174.94 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 9.5 p90 -107.1 168.92 8.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.74 -62.17 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -171.28 160.69 6.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -98.9 172.71 7.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.442 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -179.03 163.34 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.4 mp -121.02 -114.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 168.53 170.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -126.96 82.49 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -143.0 161.02 39.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.29 157.71 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.88 131.22 43.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -135.32 113.07 10.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.3 165.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 29' ' ' ASP . 35.3 t -72.69 168.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -87.15 134.44 33.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.65 -35.84 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.27 74.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -66.87 -54.28 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.731 HD11 ' HG2' ' A' ' 43' ' ' GLU . 57.5 tp -42.69 -53.98 4.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -50.92 -48.68 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.589 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mt-30 -48.96 -51.0 32.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -64.61 -65.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 33' ' ' LEU . 66.3 p -44.98 -34.05 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.22 -38.65 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -64.7 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.48 57.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CG ' HD13 ' A' ' 64' ' ' LEU . 49.0 m-85 -141.15 151.96 63.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.2 Cg_endo -75.03 145.29 31.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.731 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.76 -58.54 7.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 1.9 p-10 -40.74 -47.11 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 12.5 mtt180 -69.6 -68.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -39.68 -48.87 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.431 HG23 HG21 ' A' ' 28' ' ' VAL . 1.6 m -58.62 -62.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -51.77 -57.1 10.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -48.55 -57.93 5.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASN . 16.7 mt -40.85 -58.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -47.59 -39.25 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ALA . 18.5 mt -79.18 -25.67 42.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 m-80 -102.41 38.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.3 OUTLIER 38.2 39.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.557 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 56.41 60.01 3.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -110.26 137.65 47.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.606 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.36 -46.04 3.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 11.3 mm-40 -42.78 -56.76 3.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.18 -54.35 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.525 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.7 ttm -38.96 -66.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -46.68 -50.01 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 36.0 t90 -55.6 -40.68 72.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 61.1 mt -71.92 -28.0 63.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -77.7 -35.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -58.71 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' ALA . 22.0 m-70 -66.64 -10.57 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.31 -44.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.02 61.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.501 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -118.67 147.49 42.25 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.18 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.554 1.818 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 72' ' ' THR . 69.7 p -50.61 -45.64 57.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.4 tt -40.6 -32.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t70 60.74 152.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.659 HG23 ' HD2' ' A' ' 76' ' ' PRO . 16.6 m -132.46 145.44 57.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.99 173.37 14.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -56.55 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.8 p -105.15 111.51 24.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.43 -153.97 6.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.08 2.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 141.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.6 t -143.54 153.43 42.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -178.29 164.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.2 p -170.13 143.68 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.5 -110.94 2.45 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.55 123.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -176.92 135.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.26 153.68 6.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 127.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -156.67 170.67 21.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -147.64 128.07 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.4 153.12 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.5 134.07 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -172.29 151.56 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 165.52 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -166.01 139.83 4.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.93 138.21 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -154.42 153.16 31.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.69 172.18 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.2 tpt 60.14 149.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.79 113.32 0.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.03 139.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 122.72 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.08 119.64 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 163.29 13.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 161.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.4 -65.64 0.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -80.35 148.04 30.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 51' ' ' GLN . 44.7 t -58.58 168.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.4 t0 -90.79 133.96 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -83.69 -33.56 25.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.56 -50.88 70.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -67.52 -55.18 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD21 ' CG ' ' A' ' 43' ' ' GLU . 50.8 tp -40.54 -49.43 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -51.4 60.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.5 mt-30 -47.61 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 64' ' ' LEU . 19.4 mt -58.11 -64.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 33' ' ' LEU . 42.0 p -46.47 -29.61 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.15 -37.03 66.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -63.96 -57.86 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.28 54.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' A' ' 64' ' ' LEU . 39.4 m-85 -137.37 153.18 74.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.83 22.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.623 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.4 tt0 -52.5 -47.55 66.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 45' ' ' ARG . 4.2 t30 -44.46 -70.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' N ' HD22 ' A' ' 44' ' ' ASN . 45.9 mtp180 -56.84 -57.65 11.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.52 -46.84 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.785 HG22 HE21 ' A' ' 51' ' ' GLN . 17.2 m -60.07 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 52' ' ' LEU . 8.8 tttp -51.3 -56.63 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -43.66 -47.8 7.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 36' ' ' LEU . 16.2 mt -58.97 -50.9 72.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.785 HE21 HG22 ' A' ' 47' ' ' THR . 68.0 mt-30 -52.95 -30.24 33.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 48' ' ' LYS . 53.1 mt -92.09 -21.56 20.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.2 m-80 -103.68 37.51 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' ASN . 32.8 m80 38.36 36.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.438 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 59.1 59.98 2.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -111.04 135.19 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.67 -46.27 4.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -58.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.0 mt-30 -46.99 -58.6 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.46 -52.56 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.462 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 2.6 ttm -38.06 -67.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.883 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -48.34 -47.87 36.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.704 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 70.1 t90 -56.27 -45.9 79.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 36' ' ' LEU . 13.4 mt -62.99 -23.58 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 62' ' ' GLU . 22.2 mt -83.88 -41.98 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -54.59 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.576 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 8.1 m-70 -67.06 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.37 -37.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.51 62.2 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.08 143.46 38.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.9 p -38.99 -38.77 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.2 tt -43.14 -45.24 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' THR . 0.5 OUTLIER 172.93 88.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.815 HG23 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.62 147.95 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.815 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.95 121.85 6.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.77 82.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -97.09 153.05 18.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.38 -85.01 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.73 40.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -80.34 102.34 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.3 t -133.19 94.64 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.86 168.43 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.18 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.22 175.62 32.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.74 162.98 28.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -161.18 126.33 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.39 164.27 12.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -175.96 107.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.62 91.01 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 10' ' ' VAL . 9.6 p -137.79 119.04 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -88.77 131.63 34.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.69 151.34 22.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -138.54 146.76 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -138.02 128.67 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -100.09 -75.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.87 87.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -145.87 -53.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.16 -36.95 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.5 ttp -69.72 145.23 52.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.32 -109.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.8 138.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.35 145.33 51.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -129.86 111.15 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.44 168.4 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -116.68 159.54 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 62.12 124.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.241 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.8 162.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 29' ' ' ASP . 34.1 t -68.88 169.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.6 t0 -91.28 141.55 28.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.6 pt-20 -88.12 -45.09 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.94 -53.21 20.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.21 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -42.49 -48.22 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -48.94 69.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.618 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -48.41 -57.43 6.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 64' ' ' LEU . 12.9 mt -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' LEU . 77.4 p -44.56 -36.13 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -38.47 78.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.468 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -64.12 -57.35 9.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.11 58.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 64' ' ' LEU . 42.9 m-85 -139.99 153.93 69.97 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.428 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -75.01 133.89 17.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.64 ' HG2' HD11 ' A' ' 33' ' ' LEU . 1.5 tt0 -53.34 -50.16 65.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.43 -57.16 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' CD ' ' HG2' ' A' ' 42' ' ' PRO . 14.1 mtt180 -68.04 -58.3 4.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.4 -47.78 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.44 HG23 HG21 ' A' ' 28' ' ' VAL . 2.3 m -59.58 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.371 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -56.73 12.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.611 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -45.87 -52.78 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.8 mt -48.81 -58.05 5.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' HG2' ' CE ' ' A' ' 55' ' ' MET . 13.5 mt-30 -49.66 -33.36 15.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.1 mt -83.16 -25.07 32.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -105.88 40.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.1 t-160 37.88 40.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.571 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.445 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 57.64 55.98 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.4 t -104.32 136.53 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 35' ' ' GLN . 1.8 t -76.28 -47.56 3.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.0 -63.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.9 mm100 -41.99 -56.23 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.72 -57.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.468 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.7 ttm -37.75 -67.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.784 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -46.73 -46.56 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 49' ' ' ALA . 45.0 t90 -58.05 -36.33 72.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.864 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 25.9 mt -73.82 -23.81 59.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 62' ' ' GLU . 46.4 mt -80.8 -38.04 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.43 -69.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -50.02 -23.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.864 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.65 -46.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -72.5 -42.49 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -46.19 126.28 7.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.13 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 p -109.14 70.75 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -27.87 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -176.5 -55.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.2 m -118.15 143.56 33.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.96 104.28 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.66 162.06 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.4 m -79.87 -54.69 5.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.24 -145.64 16.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.68 5.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.491 1.785 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -140.58 137.03 33.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.0 p -106.4 141.48 37.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 168.97 13.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -152.77 170.33 20.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.42 -124.18 3.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -172.77 151.37 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.9 158.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.79 179.03 36.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -161.94 163.89 28.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 174.04 11.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.0 p -158.02 134.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.38 142.73 44.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -147.28 162.71 38.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.81 161.13 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 65.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 144.11 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.62 113.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.58 118.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.58 -55.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.6 111.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.65 109.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -101.83 118.71 37.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -144.42 78.36 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 t70 58.97 159.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 158.73 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.26 162.36 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.0 -62.49 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 153.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.3 t -85.45 169.77 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.529 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.4 t0 -89.36 142.74 27.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -89.17 -48.67 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.54 -52.99 9.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.35 -60.55 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' A' ' 43' ' ' GLU . 58.4 tp -40.45 -56.1 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.61 -48.5 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mt-30 -50.06 -52.82 31.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.0 mt -62.64 -65.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.3 p -45.24 -33.49 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.46 -37.98 68.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -64.0 -53.32 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.79 53.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 64' ' ' LEU . 34.0 m-85 -133.8 153.65 80.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.38 7.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.55 -49.58 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.69 -66.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' NE ' HG12 ' A' ' 73' ' ' ILE . 81.4 mtt180 -63.53 -55.25 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.21 -49.51 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 HG21 ' A' ' 28' ' ' VAL . 3.1 m -56.3 -54.91 39.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -58.48 -60.01 4.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -40.7 -48.39 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ASN . 12.8 mt -52.07 -59.21 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 13.0 mt-30 -45.39 -44.29 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.2 mt -73.93 -28.75 61.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-80 -99.25 37.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' ASN . 76.5 m-70 37.81 39.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.612 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 59.47 56.6 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -105.49 136.52 44.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.51 -47.49 3.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.7 OUTLIER -42.3 -52.83 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -40.76 -57.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.694 ' SD ' HD11 ' A' ' 65' ' ' ILE . 1.1 ttm -37.97 -65.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.54 -50.94 12.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 67' ' ' HIS . 41.4 t90 -56.47 -35.73 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.606 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -75.79 -27.9 58.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.694 HD11 ' SD ' ' A' ' 61' ' ' MET . 26.3 mt -77.96 -39.78 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -55.61 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.709 ' HB3' HD12 ' A' ' 73' ' ' ILE . 18.8 m-70 -66.76 -10.5 47.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.13 -30.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 67' ' ' HIS . 3.2 mm-40 -132.59 61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.471 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -119.62 154.15 54.54 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -46.13 -57.51 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -43.27 -35.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.74 121.64 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.75 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -142.73 147.05 40.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.75 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.98 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.42 1.747 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.83 107.33 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.42 143.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -114.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.15 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.83 85.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -62.4 121.72 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -174.64 169.34 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.17 169.58 22.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.065 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.36 -176.1 33.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.05 171.07 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.9 p -175.18 163.39 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.49 -151.24 15.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -169.86 128.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.75 158.46 44.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -153.11 115.33 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' H ' HD23 ' A' ' 12' ' ' LEU . 3.0 tt0 -179.18 72.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -174.45 174.17 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 52.99 172.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.24 99.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -174.27 65.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.27 147.01 39.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.48 153.8 37.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 132.19 46.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -130.08 141.36 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -127.89 -134.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' H ' HD23 ' A' ' 20' ' ' LEU . 1.1 t0 69.26 -67.98 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LEU . 6.9 tt0 54.25 75.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.88 152.87 35.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -59.56 143.77 49.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -140.18 157.46 45.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.01 -59.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -91.4 149.79 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.4 t -44.08 164.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 5.3 t70 -88.86 139.19 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.15 -51.28 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.17 -47.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.06 -55.03 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.1 tp -42.57 -53.11 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.84 10.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -47.59 -52.78 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 23.2 mt -61.86 -67.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 37' ' ' THR . 66.1 p -43.18 -37.81 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -63.13 -41.5 99.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.451 ' HE3' ' SD ' ' A' ' 61' ' ' MET . 0.1 OUTLIER -63.76 -56.75 13.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.09 54.49 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -130.41 151.97 79.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 122.98 7.5 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.863 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -48.16 -48.27 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -44.65 -62.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 74.3 mtt85 -64.95 -58.38 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -40.38 -47.4 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 28' ' ' VAL . 2.7 m -54.74 -49.09 71.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -59.38 -60.62 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -42.38 -58.25 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.9 mt -43.31 -46.36 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.639 ' HG2' HG22 ' A' ' 28' ' ' VAL . 4.6 mt-30 -62.21 -38.35 88.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ALA . 92.5 mt -91.43 13.24 18.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.4 m-80 -134.71 32.96 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 41.39 29.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.628 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.634 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.9 mmt 71.01 47.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 4.9 t -96.87 137.27 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.6 t -77.9 -47.61 2.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.01 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.0 mm-40 -42.15 -47.0 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -48.32 -48.97 35.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' ' 39' ' ' MET . 5.6 ttp -45.87 -65.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 65' ' ' ILE . 49.1 mt-10 -46.79 -46.28 20.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.781 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 11.1 t90 -55.52 -36.63 66.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.902 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 13.2 mt -74.51 -35.92 63.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -70.26 -31.11 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.67 -67.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.781 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 31.3 m-70 -54.48 -21.76 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.613 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.902 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -41.62 -41.69 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -97.07 46.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' HIS . 23.4 t0 -127.15 124.95 23.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.14 20.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.3 p -123.47 73.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.93 -46.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -63.39 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.763 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.8 m -133.01 147.04 63.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.763 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.05 158.83 41.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 mt 57.91 171.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -124.33 115.29 20.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.013 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.23 97.54 0.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 67.49 5.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.1 p -105.58 -50.88 3.11 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 p -103.45 147.01 27.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.01 170.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -159.71 170.44 21.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -169.85 28.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -129.05 170.58 13.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -136.17 170.44 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.93 -140.48 11.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -165.29 167.57 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.81 176.3 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -164.11 139.91 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -124.6 170.57 10.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.58 176.25 5.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.15 171.8 13.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.96 178.61 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 mttt 65.02 158.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.9 101.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 178.64 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.92 154.04 10.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 mmm -85.01 164.34 18.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.28 93.25 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.27 121.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -123.68 56.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.6 159.9 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.63 133.31 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.96 148.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.62 73.16 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.71 143.48 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.0 t -70.31 166.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.0 t0 -87.44 138.33 31.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.17 -36.76 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.62 -54.45 45.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -61.44 -52.14 65.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' A' ' 43' ' ' GLU . 62.1 tp -40.61 -45.12 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -62.29 -45.11 94.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.882 ' NE2' HG21 ' A' ' 57' ' ' VAL . 61.5 mt-30 -51.51 -49.3 62.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' MET . 19.7 mt -65.27 -65.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -46.81 -30.8 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -70.8 -35.41 72.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.614 ' HE2' ' SD ' ' A' ' 61' ' ' MET . 0.6 OUTLIER -67.94 -60.59 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.46 52.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 64' ' ' LEU . 69.8 m-85 -136.54 149.69 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.9 22.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.789 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.17 -51.13 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -46.74 -63.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 63.0 mtt85 -53.54 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.32 -46.36 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -58.7 -60.06 4.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -51.82 -60.76 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -41.54 -58.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' MET . 13.4 mt -46.3 -49.92 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HG2' HG22 ' A' ' 28' ' ' VAL . 6.8 mt-30 -57.57 -29.16 64.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' ALA . 19.2 mt -104.27 13.09 32.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.1 m-80 -133.88 34.63 3.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER 38.16 39.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.628 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.471 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.85 59.72 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.677 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -112.36 136.64 51.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.963 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG21 ' NE2' ' A' ' 35' ' ' GLN . 2.1 t -76.08 -46.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -63.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.79 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mt-30 -43.16 -44.06 4.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -50.53 -58.16 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.614 ' SD ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -42.48 -66.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 mm-40 -43.25 -49.17 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.686 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 24.6 t90 -56.44 -42.54 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 74.9 mt -68.76 -25.84 64.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 62' ' ' GLU . 25.6 mt -80.18 -39.47 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -60.81 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.686 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 15.6 m-70 -57.32 -18.13 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.77 -44.59 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -46.35 125.55 7.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.12 18.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.6 p -111.94 71.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.99 -42.49 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -65.96 -57.68 7.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -168.86 155.62 6.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.57 131.39 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.9 m -77.97 116.83 18.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -125.57 157.12 19.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.4 t -63.16 152.35 37.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 p -106.39 157.97 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.37 165.28 4.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -174.2 169.54 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.73 -169.2 12.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -169.09 108.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.64 152.05 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.13 -69.38 0.2 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -66.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 66.46 133.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 10' ' ' VAL . 53.7 t -144.91 69.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -138.44 147.55 43.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD11 ' HE2' ' A' ' 14' ' ' LYS . 8.2 tp -136.11 109.51 7.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -133.61 93.85 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HE2' HD11 ' A' ' 12' ' ' LEU . 1.5 pttp -146.42 153.84 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt 66.56 171.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.19 108.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -85.26 -53.48 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.48 74.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.464 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 ttp -128.54 144.27 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 19' ' ' MET . 2.9 mp -157.55 -109.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.18 161.91 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.59 138.49 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -172.43 158.01 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.13 153.87 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -144.97 152.41 40.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -110.84 -60.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.34 154.31 24.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 51' ' ' GLN . 61.1 t -42.79 163.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -88.4 135.8 33.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -84.69 -44.05 13.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -49.12 -55.49 12.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -60.57 -54.76 41.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD11 ' HG3' ' A' ' 43' ' ' GLU . 63.8 tp -40.3 -59.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -41.53 -49.62 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -49.88 -56.37 10.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' MET . 11.7 mt -58.2 -64.74 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 64.2 p -46.67 -32.36 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.5 mt-10 -74.25 -34.58 63.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.87 -61.6 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.3 56.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' HD13 ' A' ' 64' ' ' LEU . 54.1 m-85 -140.03 152.07 66.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.747 ' HG3' HD11 ' A' ' 33' ' ' LEU . 3.2 tt0 -46.4 -55.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -49.41 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' HD3' ' CD1' ' A' ' 73' ' ' ILE . 78.7 mtt180 -72.39 -61.31 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -53.27 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.52 HG23 HG21 ' A' ' 28' ' ' VAL . 2.2 m -54.75 -51.19 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttp -53.29 -67.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.22 -51.14 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 4.1 mt -46.09 -40.42 10.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.72 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.3 mt-30 -68.35 -33.57 74.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 26.4 mt -98.54 13.67 31.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ALA . 4.1 m-80 -130.29 34.56 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ASN . 48.5 m80 38.76 30.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.632 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.492 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 6.9 mmt 67.44 52.02 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -105.07 135.79 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.627 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.56 -45.42 4.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.02 -63.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 2.4 mm100 -40.33 -51.21 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -45.84 -47.65 15.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' PRO . 5.2 ttm -47.66 -63.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 65' ' ' ILE . 4.4 mm-40 -51.67 -46.09 63.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.743 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.2 t90 -58.41 -33.86 70.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.916 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 34.8 mt -76.16 -31.09 58.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 62' ' ' GLU . 17.9 mt -74.22 -33.03 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -80.69 -65.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.743 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 31.2 m-70 -55.31 -20.25 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.607 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.916 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -45.78 -40.37 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -76.69 -35.25 58.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.06 123.63 54.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -21.16 16.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 80.8 p -106.52 69.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.362 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.88 -41.42 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -116.36 94.8 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER 60.64 156.36 0.11 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.09 -54.84 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -150.23 73.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 -152.04 52.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.65 34.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -72.66 149.16 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 90.5 p -176.83 100.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -177.96 170.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 166.04 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.09 -166.16 11.0 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -140.43 170.48 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -150.9 157.0 42.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.16 -158.16 14.05 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.26 158.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.61 -172.9 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -135.78 -104.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -177.95 139.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.01 147.84 50.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -113.21 104.88 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.33 142.93 33.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.89 148.8 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.71 154.59 24.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -59.41 -61.01 2.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.31 83.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.598 ' HE2' ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -168.87 166.51 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' H ' ' HE2' ' A' ' 19' ' ' MET . 1.6 tp -125.9 -134.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -179.62 94.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -106.07 95.01 5.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.0 127.91 49.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -79.0 154.61 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -76.77 145.2 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -177.65 -45.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -144.46 161.37 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 29' ' ' ASP . 25.7 t -79.21 170.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' N ' HG12 ' A' ' 28' ' ' VAL . 4.5 t70 -91.08 143.32 26.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.39 -48.38 7.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.43 11.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -62.26 -60.43 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.782 HD21 ' CG ' ' A' ' 43' ' ' GLU . 41.4 tp -41.19 -51.28 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.63 37.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.489 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -50.18 -52.34 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 25.7 mt -60.82 -66.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' LEU . 78.9 p -42.52 -39.17 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.96 -42.32 98.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -64.82 -53.26 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.87 48.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.703 ' CD1' HD13 ' A' ' 64' ' ' LEU . 67.9 m-85 -121.25 152.24 57.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.07 11.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.5 tt0 -53.44 -48.06 69.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.7 -61.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' ALA . 8.9 mtt180 -67.12 -56.23 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.36 -47.18 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.493 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -61.84 -46.28 90.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.09 -62.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -40.82 -39.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' ASN . 14.0 mt -60.23 -61.27 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 10.5 mt-30 -45.37 -43.3 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.56 -28.58 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.1 m-80 -99.66 37.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 37.8 42.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.618 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER 54.98 58.07 5.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 5.3 t -106.71 136.52 46.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.051 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -76.5 -47.49 3.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -41.98 -60.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -40.47 -50.58 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -40.03 -66.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.047 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.877 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -50.21 -51.08 47.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.628 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 42.2 t90 -53.31 -41.25 65.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 41' ' ' PHE . 17.3 mt -68.9 -27.3 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -78.59 -46.03 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -51.72 39.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.628 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 17.0 m-70 -70.09 -10.67 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -40.42 -30.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.8 mt-10 -130.39 56.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -110.98 150.11 41.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 60.4 p -44.11 -54.89 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 67' ' ' HIS . 1.3 tt -42.37 -36.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 75' ' ' THR . 22.0 t70 -87.06 -55.92 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.827 HG23 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m 59.67 147.97 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.827 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.01 95.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 131.09 49.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.2 m -73.07 167.52 20.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.74 -153.14 20.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.63 4.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -115.92 108.36 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.3 m 55.61 85.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -169.97 153.3 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p -177.02 170.23 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.47 -179.32 16.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m 178.41 169.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.76 169.75 22.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.9 -173.99 44.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.64 162.88 24.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.37 160.0 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 11' ' ' GLU . 9.8 m -129.46 -155.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 10' ' ' VAL . 1.1 mt-10 -156.87 165.03 37.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.5 -78.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -163.15 165.06 24.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -153.28 135.95 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 166.64 24.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.55 -59.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -174.3 144.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 172.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.1 tpt -46.46 139.61 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.9 108.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.68 150.33 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -113.48 125.11 53.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.27 117.76 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.76 160.4 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.16 159.53 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.42 -66.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.7 mtt85 -68.33 139.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.782 HG22 ' HG2' ' A' ' 51' ' ' GLN . 46.6 t -45.19 167.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.513 ' N ' HG12 ' A' ' 28' ' ' VAL . 12.1 t0 -87.79 147.55 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.6 -49.31 6.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.15 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -63.43 -58.74 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.751 HD11 ' HG3' ' A' ' 43' ' ' GLU . 66.5 tp -40.37 -46.61 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -51.91 -47.85 64.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.446 ' NE2' HG21 ' A' ' 57' ' ' VAL . 4.6 mt-30 -46.71 -60.29 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.2 mt -54.93 -66.2 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 72.3 p -44.81 -32.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 20.1 mt-10 -75.07 -38.88 61.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.3 mtp -65.21 -52.15 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.82 48.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.815 ' CD1' HD13 ' A' ' 64' ' ' LEU . 82.3 m-85 -126.26 152.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 123.43 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.751 ' HG3' HD11 ' A' ' 33' ' ' LEU . 5.0 tt0 -50.09 -45.11 52.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -46.78 -59.11 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HB3' HD21 ' A' ' 64' ' ' LEU . 26.0 mtt180 -70.83 -55.72 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.66 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.689 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -58.01 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.353 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD3' ' CH2' ' A' ' 63' ' ' TRP . 1.3 tttp -53.96 -60.17 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASN . . . -43.45 -57.71 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.8 mt -44.95 -47.13 11.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.782 ' HG2' HG22 ' A' ' 28' ' ' VAL . 5.6 mt-30 -59.91 -33.91 72.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.1 mt -99.91 13.5 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.4 m-80 -132.6 29.86 4.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.9 m170 45.62 25.51 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.672 ' HE1' HG13 ' A' ' 28' ' ' VAL . 4.0 mmt 71.62 40.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -90.57 138.13 31.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.0 t -77.09 -46.13 2.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.3 mm100 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -53.18 -50.55 64.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 ttt -47.05 -67.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.745 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -46.76 -49.89 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 19.4 t90 -51.66 -42.53 62.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD13 ' CD1' ' A' ' 41' ' ' PHE . 10.2 mt -66.46 -29.39 69.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 62' ' ' GLU . 48.1 mt -75.86 -50.6 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 21.6 m-70 -71.11 -10.3 59.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -39.54 -30.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.1 mm-40 -125.43 58.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.581 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -114.19 142.81 28.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.82 2.31 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.445 1.76 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 29.8 p -61.69 -44.57 96.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.7 tt -46.38 -32.83 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.4 115.11 25.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 30.1 m -46.36 143.65 3.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.97 -177.73 3.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.95 116.12 31.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -113.63 -59.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.88 -176.88 16.06 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 100.15 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.4 p -115.95 -57.72 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.6 m 44.54 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.44 1.087 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.09 170.74 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 p -164.55 168.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.46 172.16 34.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.0 163.98 35.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -153.69 153.41 32.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.99 -138.79 7.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -178.51 116.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.01 148.2 5.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 11' ' ' GLU . 6.4 m -147.25 -155.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 10' ' ' VAL . 10.0 pt-20 -177.02 141.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.69 125.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -127.54 -42.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.34 135.28 35.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.45 146.07 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.37 111.12 5.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -71.76 97.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.06 107.02 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.1 tpt -137.39 149.52 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.25 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -149.13 108.71 4.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.41 60.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -147.18 131.22 17.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.54 139.72 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -161.73 141.98 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.92 78.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.02 145.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 29' ' ' ASP . 45.0 t -58.58 168.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' HG12 ' A' ' 28' ' ' VAL . 3.7 t0 -92.1 124.62 36.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -32.01 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.18 -55.32 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.02 -56.26 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 43' ' ' GLU . 46.1 tp -42.11 -45.1 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -48.25 69.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.7 mt-30 -52.66 -55.18 24.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' MET . 8.5 mt -58.54 -62.44 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.6 p -46.11 -30.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.01 -37.62 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.11 -50.57 70.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.7 52.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.634 ' CG ' HD13 ' A' ' 64' ' ' LEU . 30.8 m-85 -130.18 152.97 81.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 122.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.705 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -43.71 -52.23 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -59.83 -54.11 50.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.77 -46.36 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.413 HG23 HG21 ' A' ' 28' ' ' VAL . 4.7 m -59.03 -65.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 52' ' ' LEU . 1.6 tttp -46.85 -56.69 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -44.25 -63.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 55' ' ' MET . 14.2 mt -40.07 -60.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 4.7 mt-30 -45.35 -35.63 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' ALA . 39.0 mt -82.58 -32.86 28.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -95.02 38.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 53' ' ' ASN . 4.6 t-80 38.39 40.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.473 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 56.71 50.61 12.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.5 t -100.21 137.11 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.576 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -75.95 -48.06 3.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.04 -63.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -42.15 -51.23 4.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -42.98 -58.02 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.448 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.2 ttm -37.1 -60.51 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 65' ' ' ILE . 2.8 mm-40 -53.29 -47.12 69.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.7 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 11.8 t90 -56.23 -45.42 79.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 41' ' ' PHE . 12.3 mt -64.24 -28.88 70.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.6 mt -77.91 -46.51 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.36 -48.18 65.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 35.9 m-70 -74.87 -10.59 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.39 -30.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 67' ' ' HIS . 4.7 mt-10 -127.27 53.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -106.62 144.84 29.85 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -48.14 -49.89 30.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.4 tt -42.81 -34.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.65 126.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.753 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -42.18 147.09 0.59 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.753 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -75.02 178.02 7.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mt -134.72 149.28 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.7 p -153.77 89.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.47 -85.2 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.84 127.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.0 p -147.53 132.54 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -133.52 -58.01 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.736 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.9 168.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.44 -154.97 8.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.54 -59.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.87 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.22 152.49 21.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 178.95 151.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.02 158.91 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -171.39 137.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.93 158.59 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -138.28 171.95 13.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.03 155.44 29.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.86 162.2 15.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 124.1 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.67 151.53 49.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 63.04 132.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.26 84.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 153.52 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 66.52 109.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.3 -53.43 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 119.62 33.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.26 151.67 51.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -93.44 144.97 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -178.39 155.25 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -57.72 -66.38 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.28 144.78 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 47' ' ' THR . 60.7 t -46.04 163.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 28' ' ' VAL . 8.1 t0 -86.87 137.96 31.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.47 -44.68 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.89 -52.82 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . . . -61.91 -53.73 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 43' ' ' GLU . 58.1 tp -40.47 -48.08 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.7 -50.49 65.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.7 mm100 -47.47 -57.46 5.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 15.1 mt -56.87 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 33' ' ' LEU . 43.9 p -46.19 -32.26 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.2 mm-40 -71.83 -36.33 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.456 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.4 OUTLIER -65.51 -64.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 160.61 52.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CG ' HD13 ' A' ' 64' ' ' LEU . 46.1 m-85 -137.55 152.57 73.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' HG2' ' CD ' ' A' ' 45' ' ' ARG . 18.1 Cg_endo -75.01 143.82 29.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.76 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' A' ' 33' ' ' LEU . 2.9 tt0 -51.24 -55.42 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -43.32 -68.35 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 27.3 mtt180 -49.78 -64.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.37 -56.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.506 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -54.66 -47.65 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 4.1 tttt -55.33 -67.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.606 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -43.85 -52.17 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.1 mt -47.18 -44.1 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.435 ' CD ' HG22 ' A' ' 28' ' ' VAL . 4.7 mm-40 -64.21 -28.38 69.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ALA . 8.6 mt -104.91 13.56 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -132.6 36.54 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER 39.12 30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.507 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 5.2 mmt 66.79 51.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -103.97 137.56 41.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.9 t -76.98 -45.88 2.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -63.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 21.0 mm-40 -43.09 -42.88 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -52.42 -51.01 61.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.456 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 5.5 ttm -46.24 -63.25 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -48.11 -48.03 34.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.621 ' CZ2' ' CE1' ' A' ' 67' ' ' HIS . 13.5 t90 -57.85 -39.65 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 32.2 mt -67.36 -31.73 72.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.2 mt -75.45 -37.12 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -68.15 -58.46 4.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.621 ' CE1' ' CZ2' ' A' ' 63' ' ' TRP . 18.0 m-70 -66.17 -11.06 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.585 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 65' ' ' ILE . . . -50.08 -32.03 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.65 35.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -117.93 124.41 28.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.82 11.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -134.93 73.52 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.456 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -104.93 -50.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.88 168.22 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.5 m -74.9 143.53 78.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.94 100.55 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -42.62 126.82 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.96 74.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.69 -169.51 44.85 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 t -131.13 154.61 48.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.06 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m 61.84 156.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p -162.99 170.3 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -158.33 164.4 36.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 161.84 23.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 p -175.54 143.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 p -175.44 150.25 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.45 110.98 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -84.14 163.66 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.14 174.22 10.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.6 p -169.94 141.67 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -164.98 112.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.01 108.07 19.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -155.26 146.32 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -122.67 -63.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.61 68.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.57 71.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -172.37 109.26 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -176.04 119.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 99.3 6.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -174.15 114.63 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.66 102.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -123.12 161.23 24.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.69 156.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 148.29 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.59 24.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 67.29 92.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -109.19 149.1 29.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.718 HG22 ' HG2' ' A' ' 51' ' ' GLN . 57.9 t -43.62 162.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' N ' HG12 ' A' ' 28' ' ' VAL . 2.2 t0 -83.06 132.21 35.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 9.2 pt-20 -80.76 -43.18 20.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -48.82 -54.33 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG23 ' A' ' 57' ' ' VAL . . . -63.65 -55.11 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD21 ' CG ' ' A' ' 43' ' ' GLU . 56.5 tp -40.45 -43.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -56.88 -51.55 68.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -49.32 -46.82 47.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' MET . 20.0 mt -65.13 -67.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.3 p -46.25 -32.44 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 2.5 mt-10 -73.14 -35.96 66.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.06 -62.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.36 58.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' CG ' HD13 ' A' ' 64' ' ' LEU . 53.2 m-85 -144.02 150.69 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 132.12 15.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.9 tt0 -47.77 -52.1 19.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.92 -62.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 82.5 mtt180 -63.64 -58.74 5.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -39.92 -47.86 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.541 HG23 HG21 ' A' ' 28' ' ' VAL . 2.8 m -58.28 -61.71 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.163 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -45.79 -53.95 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -51.19 -58.61 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -44.1 -44.15 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.718 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.5 mt-30 -63.06 -37.52 87.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' ALA . 17.5 mt -95.25 13.3 25.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.6 m-80 -131.44 34.28 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 1.0 OUTLIER 38.79 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.707 ' HE1' HG13 ' A' ' 28' ' ' VAL . 5.5 mmt 67.04 56.35 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -109.43 136.35 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.619 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -75.65 -45.94 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.07 -63.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.6 mm-40 -40.8 -49.62 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -46.85 -50.34 18.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.463 ' HG3' ' CE ' ' A' ' 39' ' ' MET . 3.6 ttm -45.37 -64.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -49.46 -51.91 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.696 ' CE2' ' CD2' ' A' ' 67' ' ' HIS . 12.1 t90 -52.68 -40.85 63.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.895 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 26.7 mt -67.64 -37.71 82.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.0 mt -68.13 -34.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -81.37 -70.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 -48.23 -24.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.895 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.23 -49.47 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -109.05 63.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 168.11 19.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 72' ' ' THR . 82.6 p -39.34 -54.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.29 117.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 77.0 m -60.35 144.04 88.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.15 170.16 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.45 125.88 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -123.25 -167.64 12.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.15 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 134.98 18.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 p -162.96 112.0 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.1 m -57.06 158.75 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -165.98 157.53 13.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.4 108.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.74 -84.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m 63.5 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.984 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.94 144.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.03 177.53 28.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 178.62 117.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.28 102.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -140.55 123.53 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 64.72 148.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 tp -174.94 134.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.74 159.96 17.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.08 94.7 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -107.37 176.71 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.14 146.04 40.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -104.25 -56.44 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.79 84.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.485 ' HA ' ' CE ' ' A' ' 19' ' ' MET . 5.9 tpt -159.04 25.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.77 111.09 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.67 110.04 13.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 57.54 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.33 149.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.91 170.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.21 136.28 52.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.73 147.8 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.01 164.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.599 HG13 ' HE1' ' A' ' 55' ' ' MET . 48.5 t -48.48 158.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.74 139.47 31.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 12.0 pt-20 -86.9 -46.08 10.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' GLU . . . -46.37 -52.06 13.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . -62.6 -56.72 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 37' ' ' THR . 59.5 tp -40.61 -47.17 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.8 -45.68 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.1 mm100 -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 60' ' ' ALA . 20.3 mt -54.26 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 33' ' ' LEU . 70.3 p -50.75 -26.85 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mt-10 -76.8 -25.67 53.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 0.8 OUTLIER -78.84 -70.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.52 53.09 0.04 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CG ' HD13 ' A' ' 64' ' ' LEU . 50.1 m-85 -142.97 151.47 56.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' CG ' ' HD3' ' A' ' 45' ' ' ARG . 18.3 Cg_endo -74.99 165.68 30.81 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.672 ' CG ' HD21 ' A' ' 33' ' ' LEU . 8.2 tt0 -66.71 -51.28 57.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -60.7 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 39.9 mtp180 -54.13 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.68 -45.53 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 7.9 m -58.8 -62.85 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -59.25 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . -45.06 -58.83 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 55' ' ' MET . 5.5 mt -46.96 -47.41 21.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.542 ' HG2' HG22 ' A' ' 28' ' ' VAL . 8.1 mt-30 -60.49 -28.26 68.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ALA . 23.9 mt -105.28 13.29 30.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' SER . 3.0 m-80 -133.46 36.66 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.7 m80 40.65 29.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.599 ' HE1' HG13 ' A' ' 28' ' ' VAL . 6.8 mmt 67.06 48.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -99.18 138.04 36.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -76.1 -47.57 3.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -75.0 -63.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 1.7 mm100 -40.09 -49.04 2.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -47.36 -46.63 25.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.703 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -50.67 -63.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -49.35 -44.38 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.642 ' CZ2' ' ND1' ' A' ' 67' ' ' HIS . 21.1 t90 -60.76 -36.15 78.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.977 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 52.0 mt -73.39 -26.13 60.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.4 mt -80.35 -33.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -65.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.642 ' ND1' ' CZ2' ' A' ' 63' ' ' TRP . 15.7 m-70 -57.31 -17.88 14.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.977 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -51.94 -25.32 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -32.26 16.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -59.46 131.29 88.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -3.38 13.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -132.75 75.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -105.04 -44.67 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -80.81 -64.88 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.755 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -143.21 147.07 39.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.4 Cg_endo -74.92 107.63 2.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.89 90.19 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.43 70.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.5 178.75 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.79 30.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.0 m -99.78 -56.72 2.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -60.0 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 156.27 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.09 164.0 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 168.55 29.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -144.06 144.25 31.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -95.6 164.9 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.85 -176.25 14.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.38 105.64 17.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.78 115.74 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 10' ' ' VAL . 20.4 m -121.36 103.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.44 151.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.95 165.04 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -134.06 138.74 45.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.41 -64.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.11 -63.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.99 114.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -169.23 162.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.47 125.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -67.5 174.94 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -131.49 -134.48 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.584 ' H ' HD23 ' A' ' 20' ' ' LEU . 24.8 m-20 -130.89 119.62 22.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -81.23 145.09 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.42 102.06 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.27 166.06 11.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.95 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 57.93 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 153.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG21 HG23 ' A' ' 47' ' ' THR . 41.4 t -72.82 167.7 2.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' N ' HG12 ' A' ' 28' ' ' VAL . 20.7 t0 -88.16 135.88 33.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 5.7 pt-20 -80.71 -36.43 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -52.63 -61.68 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -57.77 -59.43 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.873 HD21 ' CG ' ' A' ' 43' ' ' GLU . 54.3 tp -40.42 -45.45 2.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.59 -53.32 53.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 57' ' ' VAL . 4.0 mt-30 -49.22 -45.63 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD11 ' CB ' ' A' ' 60' ' ' ALA . 14.7 mt -68.32 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -48.05 -23.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.7 mm-40 -80.03 -34.93 37.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.462 ' CE ' ' HG3' ' A' ' 61' ' ' MET . 1.1 mmm -65.79 -56.42 12.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.69 48.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.0 m-85 -133.47 152.14 78.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 18.3 Cg_endo -75.03 139.71 24.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.873 ' CG ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.63 -40.22 94.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -67.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -65.49 -53.78 37.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' PRO . . . -43.41 -48.27 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.726 HG23 HG21 ' A' ' 28' ' ' VAL . 3.5 m -54.63 -55.77 26.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -53.0 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.614 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.88 -54.04 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 36' ' ' LEU . 9.9 mt -43.23 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' NE2' ' CG2' ' A' ' 28' ' ' VAL . 7.6 mt-30 -44.14 -55.21 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 48' ' ' LYS . 46.3 mt -53.46 -44.05 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' HIS . 6.8 m-80 -94.05 39.26 1.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' MET . 13.8 m-70 38.34 65.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.589 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 35.1 61.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.2 m -99.68 135.36 41.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 2.1 t -76.22 -46.9 3.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.99 -63.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 38.7 mt-30 -42.72 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.679 ' CB ' HD11 ' A' ' 36' ' ' LEU . . . -39.16 -30.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.36 -64.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 65' ' ' ILE . 5.6 pt-20 -49.87 -46.76 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.614 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.6 t90 -56.65 -45.43 81.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 108.029 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.907 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 14.5 mt -65.09 -24.3 67.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 62' ' ' GLU . 64.9 mt -82.3 -34.28 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -61.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' CG ' ' CE2' ' A' ' 63' ' ' TRP . 20.9 m-70 -67.0 -10.42 49.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.666 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.907 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -39.77 -30.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 67' ' ' HIS . 0.7 OUTLIER -127.05 47.31 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -93.03 147.13 33.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.17 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.39 75.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.54 HD12 ' CH2' ' A' ' 63' ' ' TRP . 0.3 OUTLIER -104.08 -25.13 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -142.01 94.77 2.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.775 HG22 ' HD2' ' A' ' 76' ' ' PRO . 1.7 m -52.44 147.1 14.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.775 ' HD2' HG22 ' A' ' 75' ' ' THR . 18.3 Cg_endo -74.96 118.83 5.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 77' ' ' LEU . 11.2 mt -149.15 61.13 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -151.4 150.36 30.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 45.54 -161.88 0.13 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.64 12.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.15 106.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.4 t -167.06 150.85 6.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -97.95 -58.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 58.17 164.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.99 160.85 27.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.47 166.59 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 110.046 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -129.8 123.84 31.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.91 176.01 20.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -53.75 25.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.03 99.03 0.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.93 -18.45 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 61.02 143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 118.48 25.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -171.9 136.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.055 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -171.21 79.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.67 162.4 38.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.8 -62.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.3 t30 61.78 109.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.28 -55.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.411 ' HE3' ' H ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -104.84 148.63 26.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 85.09 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' H ' ' HE3' ' A' ' 19' ' ' MET . 1.0 OUTLIER -148.92 -56.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.4 55.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.85 112.37 7.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.48 139.24 58.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.59 100.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -111.18 -71.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.53 138.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.663 HG21 HG23 ' A' ' 47' ' ' THR . 44.9 t -70.39 166.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -85.95 141.15 29.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 31' ' ' ALA . 15.8 pt-20 -87.7 -39.3 15.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 30' ' ' GLU . . . -51.7 -55.33 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.35 -53.47 56.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 43' ' ' GLU . 49.4 tp -44.8 -49.8 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -48.28 -50.35 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 3.9 mt-30 -50.91 -50.73 56.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 60' ' ' ALA . 10.1 mt -64.89 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 p -49.28 -22.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 mm-40 -83.33 -31.64 26.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.499 ' HE2' HD23 ' A' ' 36' ' ' LEU . 4.1 mtp -69.18 -46.43 67.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.85 51.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' CG ' HD13 ' A' ' 64' ' ' LEU . 31.8 m-85 -132.04 154.41 81.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 122.27 7.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.814 ' HG3' HD11 ' A' ' 33' ' ' LEU . 6.6 tt0 -46.64 -49.07 19.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.66 -66.27 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' NE ' HG12 ' A' ' 73' ' ' ILE . 88.7 mtt180 -63.89 -54.14 39.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 64' ' ' LEU . . . -40.47 -51.63 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.663 HG23 HG21 ' A' ' 28' ' ' VAL . 1.8 m -55.5 -49.12 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ALA . 26.2 tttp -57.34 -67.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.778 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -39.69 -53.93 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' MET . 8.7 mt -40.22 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 4.3 mt-30 -40.97 -65.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.8 mt -47.89 -38.28 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 56' ' ' SER . 3.9 m-80 -95.04 36.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' GLN . 30.3 m-70 39.35 58.76 1.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.54 ' HE1' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER 38.51 62.39 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.667 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -105.41 137.17 43.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.7 t -77.27 -47.63 2.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -64.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 4.5 mm-40 -42.23 -52.37 4.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.51 -61.28 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 65' ' ' ILE . 2.4 ttm -37.54 -68.18 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -42.1 -47.81 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.778 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 53.7 t90 -56.97 -48.88 77.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.953 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 19.4 mt -63.22 -20.55 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 62' ' ' GLU . 30.1 mt -87.23 -37.08 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.6 tp10 -80.78 -61.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.636 ' CE1' ' NE1' ' A' ' 63' ' ' TRP . 15.7 m-70 -66.52 -10.55 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -39.9 -48.29 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.66 60.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -127.42 161.06 56.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.4 Cg_endo -74.96 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.7 p -43.1 -56.62 3.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.7 tt -42.39 -33.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' PRO . 39.5 t0 -98.34 115.53 28.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 76' ' ' PRO . 2.6 m -111.82 147.1 36.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 75' ' ' THR . 18.2 Cg_endo -74.92 156.02 43.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.49 131.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.53 -54.87 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.88 -147.04 16.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.78 13.93 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.4 148.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -158.9 133.28 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -176.13 139.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 p -175.39 169.67 3.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.97 -179.63 48.72 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -171.77 169.0 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.3 167.78 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.85 -165.24 22.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.4 149.54 30.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.85 140.3 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.28 -156.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.94 158.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp 64.46 147.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.13 113.51 26.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.22 132.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -89.17 73.09 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.63 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LYS . 1.4 t-20 62.57 91.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 179.46 158.99 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.668 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.4 ptm -159.71 138.84 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.668 HD12 ' O ' ' A' ' 19' ' ' MET . 0.0 OUTLIER 175.48 107.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.28 95.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.9 52.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -150.3 163.53 38.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.02 162.69 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -64.62 136.89 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -176.24 139.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.08 170.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG21 HG23 ' A' ' 47' ' ' THR . 44.4 t -67.19 165.74 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 28' ' ' VAL . 7.1 t0 -83.02 141.65 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.54 -46.51 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.29 -51.61 14.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.01 -60.36 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD11 ' HG3' ' A' ' 43' ' ' GLU . 65.7 tp -40.43 -45.92 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -53.99 -52.04 62.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.537 ' HB2' HG22 ' A' ' 57' ' ' VAL . 4.2 mt-30 -46.88 -45.78 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' MET . 22.9 mt -67.73 -66.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.538 HG21 ' OE2' ' A' ' 43' ' ' GLU . 24.9 p -47.86 -23.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mm-40 -76.05 -36.04 59.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -70.14 -60.77 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.18 54.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.869 ' CD2' HD13 ' A' ' 64' ' ' LEU . 67.0 m-85 -132.77 152.38 79.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.75 13.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.836 ' HG3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.52 -47.81 66.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.46 -64.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 60.1 mtp180 -62.9 -59.91 4.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 45' ' ' ARG . . . -38.98 -52.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.488 HG23 HG21 ' A' ' 28' ' ' VAL . 3.4 m -56.24 -57.23 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -55.12 -61.75 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . . . -44.14 -52.76 7.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' MET . 9.6 mt -41.88 -65.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' HA ' ' CE ' ' A' ' 55' ' ' MET . 11.7 mt-30 -43.97 -54.17 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.03 -32.75 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' ALA . 2.4 m-80 -100.85 38.09 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' ASN . 93.0 m-70 38.58 54.92 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.568 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 42.14 61.75 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 1.5 m -106.47 137.53 44.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 58' ' ' PRO . 1.8 t -77.69 -47.19 2.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.97 -64.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.48 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 3.1 mm100 -42.38 -55.24 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 56' ' ' SER . . . -39.59 -56.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.919 ' SD ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -45.01 -46.88 11.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 31.8 t90 -58.81 -41.32 86.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 108.013 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.869 HD13 ' CD2' ' A' ' 41' ' ' PHE . 47.9 mt -70.0 -23.44 63.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.919 HD11 ' SD ' ' A' ' 61' ' ' MET . 15.0 mt -84.45 -38.02 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.446 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 25.3 m-70 -61.93 -14.46 34.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.831 ' HB2' ' O ' ' A' ' 64' ' ' LEU . . . -40.45 -31.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 67' ' ' HIS . 1.3 mm-40 -123.71 56.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' HG22 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -113.59 150.37 43.16 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 -56.08 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.9 p -42.03 -55.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.416 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 70' ' ' ASP . 1.3 tt -43.61 -38.51 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' PRO . 0.4 OUTLIER 171.63 145.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 63.2 m -69.29 143.61 93.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 75' ' ' THR . 18.3 Cg_endo -75.08 145.45 31.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 mt -118.45 157.77 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 m -99.95 -64.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.83 -145.43 49.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 162.72 36.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.52 81.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.9 p -178.66 118.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.987 . . . . . . . . 0 0 . 1 stop_ save_