data_1wgd_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 1wgd _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 ' 8' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' GLY . 14.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG2' HD23 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.483 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 10.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.266 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 71' ' ' LEU . 15.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' LEU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG2' HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 12' ' ' VAL . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.546 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.546 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' TYR . 2.4 t80 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 8.8 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 78' ' ' HIS . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CD2' HD12 ' A' ' 71' ' ' LEU . 24.4 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' CG1' ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 8.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 12' ' ' VAL . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 8.9 m-70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG2' ' HA3' ' A' ' 26' ' ' GLY . 5.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.522 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' LEU . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG2' HD22 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 38' ' ' HIS . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.473 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CD2' HD11 ' A' ' 24' ' ' LEU . 6.9 t60 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' HD12 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 17.0 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 70' ' ' LEU . 10.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 16.3 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 15.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' LEU . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 42' ' ' VAL . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.5 t60 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 22' ' ' LEU . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 56' ' ' TYR . 7.1 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 80' ' ' LEU . 18.2 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' CG2' ' A' ' 32' ' ' VAL . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 78' ' ' HIS . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 84' ' ' CYS . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' SER . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 24' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 24' ' ' LEU . 8.3 t60 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 12' ' ' VAL . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' HIS . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 15.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 78' ' ' HIS . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 71' ' ' LEU . 14.5 m-70 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 36.7 m-70 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 54' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 23.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 35' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 10' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.7 t60 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CE2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 14.7 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 60' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 32' ' ' VAL . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 78' ' ' HIS . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.7 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 14.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.521 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.451 HD23 ' CE ' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CE ' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.521 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLY . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 70' ' ' LEU . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' LEU . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 40' ' ' SER . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 41' ' ' ARG . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 8.9 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' LEU . 9.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 32' ' ' VAL . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 39' ' ' LEU . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.541 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.541 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' HD13 ' A' ' 24' ' ' LEU . 10.6 t60 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.428 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.48 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 40.3 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 1.5 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' CD2' ' A' ' 78' ' ' HIS . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.517 ' CD2' HD12 ' A' ' 71' ' ' LEU . 72.5 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' CD ' ' A' ' 13' ' ' LYS . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 54' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.428 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 12.7 t60 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 13.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 77.5 m-70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.488 HD11 ' CD1' ' A' ' 54' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 16.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.519 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' LEU . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 ' CG2' HD23 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' CG2' ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 60' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 7.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 68' ' ' ARG . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 32' ' ' VAL . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLY . 7.1 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' A' ' 35' ' ' LEU . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' CD ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 42' ' ' VAL . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD1' ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 11.0 t60 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' HD23 ' A' ' 22' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 71' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.485 ' CG2' ' HA3' ' A' ' 26' ' ' GLY . 4.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 35' ' ' LEU . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' SER . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 10' ' ' LEU . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.6 t60 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 12' ' ' VAL . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 11.7 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 78' ' ' HIS . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.49 ' CD2' HD11 ' A' ' 71' ' ' LEU . 80.6 m-70 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 84' ' ' CYS . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.411 ' N ' HG11 ' A' ' 83' ' ' VAL . 14.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.51 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.8 t60 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 32' ' ' VAL . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 8' ' ' VAL . 54.4 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 52' ' ' GLN . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 84' ' ' CYS . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' N ' HG12 ' A' ' 83' ' ' VAL . 42.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 28.4 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.519 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CD2' HG23 ' A' ' 8' ' ' VAL . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 70' ' ' LEU . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 40' ' ' SER . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' HD12 ' A' ' 24' ' ' LEU . 10.3 t60 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' NE2' HD21 ' A' ' 70' ' ' LEU . 1.2 mm100 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 61' ' ' LEU . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 71' ' ' LEU . 5.9 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 24' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.522 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 61' ' ' LEU . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' LEU . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.2 t60 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 4.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 70' ' ' LEU . 7.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 8' ' ' VAL . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 51.0 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 84' ' ' CYS . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.416 ' N ' HG11 ' A' ' 83' ' ' VAL . 41.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 12.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.572 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' HD22 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CD ' HG13 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.572 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' A' ' 12' ' ' VAL . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.479 ' CD1' HD21 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 61' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 10.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 10.2 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG13 ' CD ' ' A' ' 13' ' ' LYS . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 84' ' ' CYS . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.412 ' N ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 23.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.513 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.513 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ARG . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 7.6 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 70' ' ' LEU . 7.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 78' ' ' HIS . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 10.4 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 71' ' ' LEU . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' SER . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 10' ' ' LEU . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 14.5 t60 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 82' ' ' LEU . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 10.2 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 61' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 19.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 78' ' ' HIS . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 84.3 m-70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.9 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 12' ' ' VAL . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.456 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 70' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 6.0 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 54' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 84' ' ' CYS . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.431 ' N ' HG13 ' A' ' 83' ' ' VAL . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.04 107.78 20.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 144.28 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 88.63 0.08 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.62 1.2 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -125.41 -59.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.82 -179.3 22.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' GLY . 14.8 m -117.42 154.68 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.5 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG2' HD23 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CE ' HD11 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.12 138.03 32.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.02 69.76 5.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.833 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' PRO . 2.5 m120 40.51 65.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 pp0? -151.9 21.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NH2' ' CZ ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER 178.55 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER 80.92 170.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 109.541 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.93 158.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -127.76 175.57 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.483 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CZ ' ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 10.0 t80 -132.84 98.06 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 71.01 31.6 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 -33.93 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.08 112.56 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp -67.03 138.77 57.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.7 mt -90.9 159.12 16.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.45 -96.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.38 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -76.24 -28.44 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -53.3 146.23 12.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo -75.01 -168.45 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.75 43.72 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -161.07 -62.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -49.45 173.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 77' ' ' ARG . 14.5 mttt -117.22 144.31 44.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.466 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER 53.69 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 4.5 m-70 -147.79 148.71 31.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.65 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 52' ' ' GLN . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.44 140.25 31.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -139.1 119.23 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 m -84.08 -151.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -148.2 69.68 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.03 146.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.082 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.98 163.32 17.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 78.97 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -45.74 159.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.177 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m 60.32 160.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.437 1.085 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.02 78.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 133.76 1.92 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -122.34 -54.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -47.46 -53.58 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 -151.47 19.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 71' ' ' LEU . 15.9 m -111.25 174.35 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' LEU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.47 85.83 17.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 53.09 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' H ' ' A' ' 17' ' ' GLN . 1.4 p-10 159.09 -55.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.55 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -77.15 68.03 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 53.07 102.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -41.39 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.83 179.02 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.16 93.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG2' HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 12' ' ' VAL . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.546 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.546 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 57' ' ' SER . 2.4 t80 -89.73 -7.02 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.63 88.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.961 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.12 25.66 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 57' ' ' SER . 2.2 pttt -150.45 101.42 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -61.86 149.6 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 8.8 mt -91.77 166.57 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD12 ' CE1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -114.9 161.4 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -32.17 59.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 64' ' ' HIS . 32.2 p-80 -83.06 51.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.2 165.84 29.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 78' ' ' HIS . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 159.73 40.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -110.23 81.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.68 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -65.47 168.01 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 139.79 35.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 49.38 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CD2' HD12 ' A' ' 71' ' ' LEU . 24.4 m-70 -152.02 148.46 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.659 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' CG1' ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.99 146.54 26.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -127.63 112.81 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.6 t -95.49 46.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 137.78 58.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.61 141.34 51.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.03 171.36 30.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.415 1.072 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.92 96.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 p -168.57 -56.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -104.73 -53.83 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.37 -67.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 146.84 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 76.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.45 83.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.71 -145.85 4.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 8.1 m -136.05 174.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 18' ' ' ARG . 8.2 t -113.44 94.01 29.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.12 2.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER 179.9 71.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' ASN . 3.2 mt-30 38.55 61.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -128.36 -47.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 70.81 -62.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.565 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -39.17 149.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.5 178.58 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.462 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 12' ' ' VAL . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.2 t80 -89.4 -8.25 53.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.64 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.28 22.79 1.03 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -148.45 106.35 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.07 150.34 48.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.18 166.14 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -114.95 167.51 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -80.26 -30.32 38.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 62' ' ' LEU . 31.7 p-80 -87.04 46.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -144.03 155.22 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.97 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -155.59 123.45 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -173.13 67.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 168.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.08 170.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.56 1.162 . . . . 0.0 110.228 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 8.9 m-70 -113.79 142.8 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.498 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.05 140.7 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -109.1 -155.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.01 90.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -53.11 178.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.07 86.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.82 161.82 18.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 125.32 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 75.08 -57.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -152.97 124.55 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -149.23 104.64 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.32 66.19 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -153.91 136.93 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -98.64 86.16 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.61 -174.7 23.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' CG2' ' HA3' ' A' ' 26' ' ' GLY . 5.7 m -122.37 174.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.371 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.522 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' LEU . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG2' HD22 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -126.2 118.0 23.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.64 -56.96 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -51.07 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 38.75 78.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 -70.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.655 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -135.44 145.15 46.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.3 164.33 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD11 ' CD2' ' A' ' 38' ' ' HIS . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.473 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 63' ' ' ASP . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CD2' HD11 ' A' ' 24' ' ' LEU . 6.9 t60 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' CB ' HD12 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 17.0 t80 -102.87 95.68 6.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.84 20.69 10.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.72 -21.37 23.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 111.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.13 139.18 54.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 70' ' ' LEU . 10.5 mt -97.5 152.12 19.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 5.6 mt -85.11 -75.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 0.9 OUTLIER 161.02 -58.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -66.51 -13.45 60.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -58.92 -179.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -75.03 -167.91 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 139.45 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.99 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -173.21 118.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.32 173.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -83.84 177.87 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 16.3 m-70 -123.2 143.88 49.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' VAL . 21.6 t -87.62 132.62 34.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 85' ' ' ASN . 1.6 p30 -48.91 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' CYS . 34.1 m -72.93 64.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -124.5 -176.96 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.34 -145.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 135.74 19.36 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.463 1.77 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -170.98 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -164.38 -57.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 59.54 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.59 159.01 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.18 -143.84 7.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -143.91 -59.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -141.99 -56.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.65 177.85 5.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 15.8 m -112.24 172.12 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' LEU . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 1.3 m -119.71 113.0 34.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.21 5.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -140.41 -49.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -178.95 -61.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 9.1 mtp180 -175.05 57.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -58.97 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.41 169.41 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -126.65 120.38 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 42' ' ' VAL . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.5 t60 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 22' ' ' LEU . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 56' ' ' TYR . 7.1 t80 -132.72 110.12 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t 77.88 6.47 2.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.96 -33.54 5.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 122.65 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -67.85 138.44 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 80' ' ' LEU . 18.2 mt -83.91 163.38 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.2 -107.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.416 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -164.7 -44.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -77.71 -29.69 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -50.91 136.25 23.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 HD12 ' CG2' ' A' ' 32' ' ' VAL . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 78' ' ' HIS . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 -164.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -34.12 74.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.74 -72.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.32 56.08 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 51.08 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.385 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.43 169.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 -118.96 151.19 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 84' ' ' CYS . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.9 141.36 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -87.32 11.06 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.594 1.183 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 69.21 144.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -128.94 136.29 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -179.13 -58.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.69 127.15 5.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.87 3.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -103.02 106.42 16.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 p -40.93 110.18 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.593 1.183 . . . . 0.0 111.023 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 64.1 82.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.42 91.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.6 -114.1 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 61.13 79.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 110.05 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -144.75 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.938 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -147.27 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLY . 5.0 m -126.48 166.75 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 108.62 59.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 75.81 3.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -154.03 -46.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ARG . 1.3 mm-40 -179.34 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.3 mtt85 38.57 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.61 120.59 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 54.46 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -154.57 155.78 35.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 24' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CD2' HD13 ' A' ' 24' ' ' LEU . 8.3 t60 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 12' ' ' VAL . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' HIS . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -78.47 -19.51 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 168.24 92.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.85 23.37 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' SER . 1.9 mttp -150.56 107.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -64.72 148.85 50.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 15.7 mt -92.06 164.58 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.716 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 79.8 mt -114.3 169.1 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.75 -38.7 38.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 64' ' ' HIS . 26.1 p-80 -80.79 53.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.716 ' NE2' ' H ' ' A' ' 62' ' ' LEU . 5.0 mt-30 -140.84 176.96 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 78' ' ' HIS . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.98 -178.71 4.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.13 173.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.67 138.95 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.82 -61.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.61 164.62 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -60.47 164.27 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 71' ' ' LEU . 14.5 m-70 -108.18 152.5 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 36.7 m-70 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 54' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t -79.73 146.02 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -166.5 143.11 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.27 121.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -88.46 107.1 18.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.14 141.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.56 -178.27 27.18 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 142.08 27.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -83.73 138.84 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.1 -56.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -80.73 118.68 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -112.64 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 97.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 0.801 . . . . 0.0 109.961 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 m -131.44 101.43 5.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.74 32.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 23.6 m -100.44 165.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 35' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HE3' ' CG1' ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.67 105.2 49.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.01 29.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 41.92 81.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -116.99 -52.2 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.8 169.59 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 156.14 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.19 129.5 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 10' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.7 t60 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' SER . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CE2' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 14.7 t80 -108.52 103.84 13.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t 68.35 16.03 9.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.02 -4.29 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.67 118.0 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -68.94 154.75 41.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 60' ' ' LEU . 14.8 mt -106.52 157.15 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 10.6 mt -85.14 -78.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER 160.28 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 33.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.564 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -116.78 151.79 35.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 32' ' ' VAL . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 78' ' ' HIS . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.02 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 60.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -149.02 170.76 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.99 94.66 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -174.42 148.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' CD ' ' HB ' ' A' ' 9' ' ' THR . 18.9 mmt180 -71.45 171.37 11.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.7 m-70 -123.88 152.8 41.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG1' ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -83.61 130.65 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.64 113.37 10.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.8 p -146.78 125.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 140.97 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -167.34 82.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.21 171.0 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.0 5.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -58.31 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -141.23 123.21 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.01 124.95 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 159.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -175.57 0.6 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -72.88 109.05 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -101.35 75.6 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.38 175.88 27.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 14.7 m -122.43 166.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.451 HD23 ' CE ' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CE ' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -124.06 102.84 33.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 59.83 5.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.2 t30 174.2 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 43.3 tt0 -55.63 -44.74 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.9 mtp180 38.18 74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 2.2 p80 -132.01 -60.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.543 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -139.64 163.55 32.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.93 128.62 56.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.521 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLY . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 70' ' ' LEU . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' LEU . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 40' ' ' SER . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 41' ' ' ARG . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 8.9 t80 -105.18 100.77 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 21.91 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.23 -13.35 48.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.425 1.078 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.3 139.29 57.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 70' ' ' LEU . 9.6 mt -97.2 151.29 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -83.68 -86.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 178.53 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.391 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -63.58 -32.84 74.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -47.53 145.98 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 32' ' ' VAL . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 64.63 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.8 tt0 68.51 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 59.94 -85.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' GLN . 11.7 pttt -159.21 175.83 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -41.47 132.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 -94.55 145.58 24.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -88.77 136.01 33.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -69.95 91.33 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -70.52 67.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.21 101.15 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.4 79.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.43 154.07 34.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.07 32.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -47.72 -52.22 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t 56.57 164.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.32 150.68 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.13 107.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.7 7.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 132.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.04 -68.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.88 -142.09 16.93 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.09 172.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.517 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' HG13 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 2.9 m -130.04 104.39 16.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.64 4.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.1 m120 -171.59 33.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' ASN . 8.2 tt0 36.37 63.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -75.98 -70.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 1.8 m170 174.19 108.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 45.44 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -112.97 160.17 18.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 39' ' ' LEU . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.541 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.541 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' CD2' HD13 ' A' ' 24' ' ' LEU . 10.6 t60 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD2' ' ND2' ' A' ' 85' ' ' ASN . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.48 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.483 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 40.3 t80 -121.48 97.05 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 1.9 t 79.99 8.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.85 -31.57 5.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -76.26 125.09 28.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 1.5 tp -74.6 148.84 40.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt -95.28 156.6 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.8 -110.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -164.57 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -73.94 -7.38 52.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -73.96 141.95 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 HD12 ' CD2' ' A' ' 78' ' ' HIS . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.08 -167.86 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -43.85 -49.54 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLU . 10.3 pt20 -178.82 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER 38.21 65.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.53 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.611 1.194 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -44.82 154.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.087 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.517 ' CD2' HD12 ' A' ' 71' ' ' LEU . 72.5 m-70 -95.32 119.21 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.556 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' CD ' ' A' ' 13' ' ' LYS . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 54' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.28 136.1 38.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 51' ' ' ASP . 9.0 p-10 -81.11 -152.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 87' ' ' LYS . 2.4 m -82.61 -151.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.505 ' N ' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -122.98 57.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.81 94.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.47 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.36 26.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.9 p -157.85 119.66 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 m 73.55 -67.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -110.34 156.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.45 97.79 3.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -120.17 1.89 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 49.22 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.52 103.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.23 175.22 29.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -107.88 153.55 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 77' ' ' ARG . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m -130.29 95.75 26.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.8 4.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 179.13 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ARG . 6.9 pt20 -89.25 -28.24 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.3 mtm180 38.58 61.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' ARG . 9.7 m80 -135.86 115.38 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 59.89 148.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.333 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -112.45 152.76 28.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.428 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 12.7 t60 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 13.4 t80 -126.77 92.9 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t 73.42 28.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.62 -32.57 7.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 115.96 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp -69.77 148.93 48.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.388 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 11.1 mt -100.6 160.47 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -122.24 171.07 9.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.19 -34.05 37.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' A' ' 64' ' ' HIS . 23.6 p-80 -84.78 48.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -147.84 156.93 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -74.98 -171.32 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.78 13.61 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -122.06 -177.76 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.251 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.06 150.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -66.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 4.1 mtm180 -89.92 161.34 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 77.5 m-70 -128.84 136.6 50.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.488 HD11 ' CD1' ' A' ' 54' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.88 137.11 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.0 t30 -137.19 28.65 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -39.47 97.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -117.81 137.63 52.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.61 130.84 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.387 1.055 . . . . 0.0 109.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.84 -146.28 4.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.23 5.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -178.38 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m 65.91 147.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.441 1.088 . . . . 0.0 110.959 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -40.33 156.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -164.18 112.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -118.46 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -111.58 121.78 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.82 78.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.45 -156.4 16.42 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 16.9 m -117.36 169.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.519 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' LEU . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' CG2' HD23 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m -120.46 119.31 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -10.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -125.81 -79.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.97 75.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -69.98 58.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -109.47 96.99 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 57.99 171.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.244 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.55 165.3 15.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' CG2' ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -134.99 127.32 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.63 13.74 5.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.95 -3.23 60.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 139.2 36.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 60' ' ' LEU . 1.6 tm? -83.13 137.05 34.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . 7.2 mt -92.64 160.48 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.15 -102.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.58 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -75.59 -20.39 58.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.45 148.55 41.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 68' ' ' ARG . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HG22 ' A' ' 32' ' ' VAL . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 60.42 6.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 56.56 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 179.99 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -174.66 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.445 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -156.58 -171.23 3.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.1 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 -148.47 147.34 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t -85.36 137.63 32.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.96 -155.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.91 127.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -179.99 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.29 -45.22 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.13 127.76 39.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 145.79 44.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -136.02 -58.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.02 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.2 159.02 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.4 96.11 3.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.36 -62.28 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.51 79.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.4 88.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -156.78 23.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLY . 7.1 m -111.54 167.97 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' A' ' 35' ' ' LEU . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' CD ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -115.78 112.23 42.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.8 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -133.86 -53.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -173.34 -56.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 3.7 mtp180 -179.13 57.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -59.4 -69.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.94 161.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.63 134.06 51.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 42' ' ' VAL . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' CD1' ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 11.0 t60 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 12' ' ' VAL . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' HD23 ' A' ' 22' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB3' ' CB ' ' A' ' 85' ' ' ASN . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -124.43 109.63 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t 76.78 4.98 3.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.88 -30.43 7.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 132.86 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -72.9 149.95 43.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 16.3 mt -97.3 160.43 14.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' CD1' ' CE1' ' A' ' 64' ' ' HIS . 5.7 mt -112.04 150.41 30.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.41 -40.73 81.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 7.7 p80 -66.97 -12.89 61.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.551 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -87.82 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 71' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -74.98 170.64 19.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -92.15 66.33 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -175.49 146.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.06 . . . . 0.0 110.304 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.61 110.7 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -173.15 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' HG22 ' A' ' 9' ' ' THR . 0.3 OUTLIER -44.7 141.27 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 -112.71 147.5 36.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.65 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 143.39 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 54.5 t30 -92.94 27.08 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.22 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -150.31 125.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.01 154.08 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.37 153.59 46.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.943 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.08 -168.29 14.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.567 1.825 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.3 m -101.18 148.12 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.0 m -58.21 163.54 2.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.21 85.37 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.49 157.05 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.87 -74.6 0.35 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.84 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 58.74 86.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.32 177.13 24.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' CG2' ' HA3' ' A' ' 26' ' ' GLY . 4.0 m -107.12 174.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 35' ' ' LEU . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -96.98 117.45 65.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -36.24 2.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.77 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 176.43 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -61.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 178.81 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 162.6 28.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -43.78 123.87 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 10' ' ' LEU . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.6 t60 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 12' ' ' VAL . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 11.7 t80 -126.9 105.02 8.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.4 t 80.75 3.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.28 6.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 129.83 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -72.99 150.39 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 11.6 mt -96.16 155.03 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.757 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 15.6 mt -112.13 165.13 12.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.85 -42.65 32.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 17.5 p-80 -75.64 55.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.757 ' NE2' ' H ' ' A' ' 62' ' ' LEU . 9.0 mt-30 -147.1 174.67 11.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 1.19 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 78' ' ' HIS . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.06 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -135.48 54.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -175.51 59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.5 155.24 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -82.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -98.7 168.29 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.49 ' CD2' HD11 ' A' ' 71' ' ' LEU . 80.6 m-70 -123.64 152.24 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 84' ' ' CYS . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.411 ' N ' HG11 ' A' ' 83' ' ' VAL . 14.3 t -89.07 144.25 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' VAL . 29.4 t-20 -91.88 16.48 10.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' ASN . 85.2 t 62.11 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.65 157.95 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.89 87.1 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.19 -165.86 12.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 59.24 5.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -121.76 99.93 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.52 -57.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.02 146.73 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -133.69 122.37 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.41 -156.6 6.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.64 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.915 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -51.87 -61.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 171.65 21.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.562 ' HB ' ' CD2' ' A' ' 78' ' ' HIS . 4.6 m -104.17 162.45 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.51 ' CG2' ' HG3' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m -125.94 129.43 24.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.13 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 178.65 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 77.94 74.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -146.91 -54.41 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -95.01 128.4 41.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -46.5 158.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -68.53 159.41 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' HG3' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.8 t60 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' CB ' HD11 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 57' ' ' SER . 11.1 t80 -96.32 -87.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 56.4 p -94.32 54.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.54 -2.69 37.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -116.15 126.92 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.71 145.41 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -86.29 163.04 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.3 mt -82.78 -90.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 174.69 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -80.0 -23.47 41.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -51.79 152.74 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 HD12 ' CG2' ' A' ' 32' ' ' VAL . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 175.26 11.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -107.84 111.68 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 66.22 83.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.07 176.31 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.42 175.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -52.52 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 8' ' ' VAL . 54.4 m-70 -113.06 136.86 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 52' ' ' GLN . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 84' ' ' CYS . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' N ' HG12 ' A' ' 83' ' ' VAL . 42.0 t -94.59 135.44 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -141.53 122.85 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.2 134.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 -167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.8 90.26 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.34 157.17 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t 53.78 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m 55.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -147.4 -58.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.961 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.69 101.97 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.05 102.41 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -89.28 108.38 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -173.04 119.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.48 -162.99 24.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 28.4 m -109.12 174.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.519 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CD2' HG23 ' A' ' 8' ' ' VAL . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 82' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.5 104.5 53.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.11 73.43 4.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 3.2 m-20 157.86 -55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.41 -46.36 86.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 38.74 74.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 -62.3 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -139.43 146.4 40.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.47 154.06 18.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 70' ' ' LEU . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' O ' ' OG ' ' A' ' 40' ' ' SER . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CD2' HD12 ' A' ' 24' ' ' LEU . 10.3 t60 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' O ' ' CB ' ' A' ' 57' ' ' SER . 5.4 t80 -81.93 -9.99 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.19 90.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.16 24.34 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.58 105.82 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -64.64 151.0 45.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 70' ' ' LEU . 9.3 mt -91.38 166.41 12.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 64' ' ' HIS . 3.9 mt -109.71 140.77 43.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -62.84 -31.62 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 62' ' ' LEU . 2.5 p-80 -75.29 -14.81 60.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.557 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' NE2' HD21 ' A' ' 70' ' ' LEU . 1.2 mm100 -87.83 143.38 27.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 61' ' ' LEU . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.5 40.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -82.94 111.95 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.47 97.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.07 173.1 16.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -49.74 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -123.45 151.53 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t -81.4 140.27 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -154.07 136.1 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 87' ' ' LYS . 1.4 p -128.74 -159.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 63.14 141.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 -40.71 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.21 -172.55 42.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 66.92 5.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.9 t -153.93 -60.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 149.37 29.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m 60.0 164.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -170.17 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.03 101.17 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.573 1.171 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -63.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -138.93 85.96 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.98 -133.13 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 71' ' ' LEU . 5.9 m -127.8 119.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' HIS . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 24' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.47 109.29 46.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.58 4.91 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.523 1.802 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -145.66 -47.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -179.12 45.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.6 mtt85 38.34 87.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -129.76 104.49 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.95 169.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -151.69 158.37 43.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.522 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 61' ' ' LEU . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' LEU . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.2 t60 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 57' ' ' SER . 4.0 t80 -109.94 123.99 50.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER 55.16 19.72 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.42 9.85 58.67 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 125.3 52.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 62' ' ' LEU . 1.6 tm? -74.79 137.62 42.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 70' ' ' LEU . 7.0 mt -92.13 154.43 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -118.96 151.19 38.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.61 -24.35 67.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 62' ' ' LEU . 4.2 p80 -91.32 43.7 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -145.19 154.19 42.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 8' ' ' VAL . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.517 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -74.98 -172.51 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 74' ' ' GLN . 1.2 tppt? -86.81 -62.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -63.88 171.51 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 74.16 131.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CD ' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.51 -74.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' CG ' ' HB ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.7 177.35 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.517 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 51.0 m-70 -151.97 150.73 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 84' ' ' CYS . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.416 ' N ' HG11 ' A' ' 83' ' ' VAL . 41.1 t -93.32 131.33 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -95.93 -153.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.6 t -151.68 128.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -81.87 -174.5 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.44 177.41 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.052 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -42.37 127.84 4.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -102.2 169.74 8.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 O-C-N 124.434 1.084 . . . . 0.0 110.983 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -157.31 141.55 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -97.09 151.18 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 -71.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.587 1.179 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.94 144.4 30.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 0.741 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.96 79.16 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.57 -154.5 10.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 12.5 m -127.61 172.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.572 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 35' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' HD22 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CD ' HG13 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -127.0 90.4 49.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 62.25 5.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.73 -78.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 tt0 -132.43 -59.27 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -175.84 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -85.62 127.51 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.639 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.2 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.64 155.11 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.572 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' A' ' 12' ' ' VAL . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.479 ' CD1' HD21 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 57' ' ' SER . 8.4 t80 -88.72 -88.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.61 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -95.55 62.31 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.14 14.2 24.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.34 110.49 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 0.828 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 61' ' ' LEU . 1.5 tm? -45.35 145.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 10.2 mt -86.63 139.91 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 11.7 mt -70.13 -75.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 162.47 -55.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -63.75 -32.42 73.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -47.49 145.01 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.06 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -121.38 60.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 172.87 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -39.73 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.61 136.92 16.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.95 174.34 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.352 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 10.2 m-70 -113.0 135.61 53.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.528 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG13 ' CD ' ' A' ' 13' ' ' LYS . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 84' ' ' CYS . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.412 ' N ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -84.13 142.12 30.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.59 21.92 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.9 p -151.57 121.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -128.63 76.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.4 t 64.36 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . 126.92 -145.5 15.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 73.81 4.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.16 156.08 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -120.59 97.4 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -131.54 104.22 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.4 130.45 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.7 95.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -155.02 151.07 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.55 -57.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.87 -145.45 17.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 23.5 m -121.79 162.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.513 ' CG2' ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -82.28 114.12 48.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.15 42.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.46 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.67 -54.34 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 10.5 mtt85 38.13 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -141.51 -60.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.05 145.4 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -100.32 153.81 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 41' ' ' ARG . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 7.6 t80 -129.86 104.62 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.2 t 83.5 -7.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.82 -8.1 8.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -107.21 130.32 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.791 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -67.93 161.23 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 70' ' ' LEU . 7.6 mt -106.88 162.39 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 64' ' ' HIS . 8.8 mt -109.53 132.89 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -50.89 -22.41 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.498 ' CE1' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -85.29 -31.87 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 62' ' ' LEU . 65.4 mt-30 -58.61 156.61 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 78' ' ' HIS . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.94 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -147.51 101.97 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -159.94 -88.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.21 72.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.32 155.06 3.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -168.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 10.4 m-70 -139.4 130.3 26.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.45 161.36 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.67 29.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' LYS . 86.5 t 63.87 125.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER 40.41 68.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.68 -145.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.1 81.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -139.29 116.63 11.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.47 161.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -70.69 106.89 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.01 161.44 13.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -80.58 110.8 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -84.3 -66.79 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.12 -140.3 15.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.8 172.08 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 71' ' ' LEU . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -116.41 113.02 41.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 62.67 5.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.564 1.823 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 173.2 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.39 -42.67 82.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 38.65 67.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.609 ' HD1' ' N ' ' A' ' 20' ' ' ARG . 9.1 t-80 -135.59 -81.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.614 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.609 ' N ' ' HD1' ' A' ' 19' ' ' HIS . 9.5 ttt180 -96.97 149.86 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -118.37 -179.92 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 10' ' ' LEU . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 14.5 t60 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 82' ' ' LEU . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 88' ' ' SER . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 56' ' ' TYR . 10.2 t80 -145.73 106.46 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 77.33 0.25 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.94 -17.85 19.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.067 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 16.2 pttt -89.09 113.16 24.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 61' ' ' LEU . 1.3 tm? -59.53 137.34 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 19.0 mt -86.07 161.81 18.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER -121.7 169.88 10.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.24 -40.01 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 64' ' ' HIS . 31.3 p-80 -79.94 53.71 1.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -138.18 -179.36 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 78' ' ' HIS . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.02 -168.02 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 78.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.7 62.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 47.51 -172.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 64.43 138.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 84.3 m-70 -120.75 150.4 41.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.81 151.32 22.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.92 -158.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.6 m -71.08 66.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.06 132.74 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.42 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -89.14 124.11 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -117.2 -151.68 9.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.35 164.81 11.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.084 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.91 120.64 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.57 -52.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.744 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 60.33 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 158.84 26.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 45.66 87.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.724 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -60.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.14 -139.67 15.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.9 m -123.96 163.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -129.68 131.5 23.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.02 5.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -44.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 78.16 58.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.216 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -47.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 176.61 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -97.2 152.16 19.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -63.91 164.67 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 12' ' ' VAL . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.456 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.574 ' CG ' ' N ' ' A' ' 57' ' ' SER . 12.2 t80 -82.86 -89.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 10.8 m -92.92 70.65 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.86 23.32 1.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.01 107.64 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tp -45.84 134.08 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 70' ' ' LEU . 52.0 mt -75.08 166.27 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.35 -107.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.87 -63.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -14.38 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -52.67 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 17.8 Cg_endo -75.09 179.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -67.56 -70.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -110.38 137.79 47.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 178.61 137.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -139.59 158.27 44.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 6.0 m-70 -107.27 143.7 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.577 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 54' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 84' ' ' CYS . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.431 ' N ' HG13 ' A' ' 83' ' ' VAL . 28.4 p -77.33 144.9 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.36 -154.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -156.83 130.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 167.01 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 92.53 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.24 172.84 37.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 166.73 28.44 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.482 1.78 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.4 t -120.61 -57.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.27 125.42 51.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.811 HG21 ' CD1' ' A' ' 71' ' ' LEU . 14.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.937 HG21 HD21 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD21 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.795 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 54' ' ' LEU . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.433 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 18.0 t-80 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.485 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' HD21 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.698 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD22 HD13 ' A' ' 70' ' ' LEU . 17.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.266 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 10' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.806 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.811 ' CD1' HG21 ' A' ' 8' ' ' VAL . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.624 ' CD2' HD13 ' A' ' 71' ' ' LEU . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 2.0 m80 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 39' ' ' LEU . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.671 HD13 ' OE1' ' A' ' 23' ' ' GLU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.721 HG21 HD21 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.671 ' OE1' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HG3' HD22 ' A' ' 54' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 82' ' ' LEU . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG23 HD21 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB3' HD11 ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.922 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HB3' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.8 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 10' ' ' LEU . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.627 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.664 ' ND1' HD13 ' A' ' 71' ' ' LEU . 14.9 m80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 39' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 26' ' ' GLY . 8.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.769 HD13 ' CD ' ' A' ' 23' ' ' GLU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 HG23 ' A' ' 42' ' ' VAL . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' CD ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' CG2' HD11 ' A' ' 70' ' ' LEU . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 25.0 t-80 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 82' ' ' LEU . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 22' ' ' LEU . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.612 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 70' ' ' LEU . 12.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.654 ' OE1' HD21 ' A' ' 70' ' ' LEU . 54.4 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 61' ' ' LEU . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD11 HD21 ' A' ' 10' ' ' LEU . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.594 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 6.3 m80 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' HE3' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.607 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.984 HD13 ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 27' ' ' ASP . 5.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.826 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 71' ' ' LEU . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE3' ' A' ' 13' ' ' LYS . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.883 HG21 HD21 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 11' ' ' LEU . 23.1 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 43' ' ' TYR . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.826 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 8' ' ' VAL . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 61' ' ' LEU . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HE3' HG12 ' A' ' 32' ' ' VAL . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.02 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG23 HD21 ' A' ' 22' ' ' LEU . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.65 ' CB ' HD11 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HD2' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.559 HD11 ' HD2' ' A' ' 53' ' ' ARG . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 17.0 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.776 ' H ' HD22 ' A' ' 60' ' ' LEU . 10.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' ND1' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 8.7 m80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.02 HD22 HD13 ' A' ' 39' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.651 HG22 ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD23 ' HE3' ' A' ' 13' ' ' LYS . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HG2' HG22 ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 24' ' ' LEU . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HG3' HD22 ' A' ' 54' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 16.4 t-80 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.126 HD13 HD22 ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.462 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.618 ' CB ' HD11 ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.949 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG13 HD12 ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.888 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.1 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 56' ' ' TYR . 18.2 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 mm100 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 10' ' ' LEU . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.6 HD13 HD22 ' A' ' 61' ' ' LEU . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 11' ' ' LEU . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.126 HD22 HD13 ' A' ' 39' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 26' ' ' GLY . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 42' ' ' VAL . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.786 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' SER . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 29.1 t-80 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD13 HD22 ' A' ' 82' ' ' LEU . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 22' ' ' LEU . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.823 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.548 ' HB3' HD21 ' A' ' 61' ' ' LEU . 6.1 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 70' ' ' LEU . 15.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 27' ' ' ASP . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 61' ' ' LEU . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 10' ' ' LEU . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.616 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.616 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 7.7 m80 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 32.3 m80 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.08 HD22 HD13 ' A' ' 39' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.896 HG21 ' CD1' ' A' ' 71' ' ' LEU . 23.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.712 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 71' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 39' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE3' HG13 ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD21 HG23 ' A' ' 42' ' ' VAL . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.798 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 54' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HG3' HD22 ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.928 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.48 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 39' ' ' LEU . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.632 ' CB ' HD11 ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.889 ' HD3' HD11 ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 14.7 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.889 HD11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 60' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 27' ' ' ASP . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD1' HD13 ' A' ' 61' ' ' LEU . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.896 ' CD1' HG21 ' A' ' 8' ' ' VAL . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.587 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.8 m80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.928 HD22 HD13 ' A' ' 39' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.804 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' HE3' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 HD21 ' A' ' 39' ' ' LEU . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 42' ' ' VAL . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.804 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 67' ' ' LEU . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG12 ' HE3' ' A' ' 36' ' ' LYS . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HE3' HG12 ' A' ' 32' ' ' VAL . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.472 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 22' ' ' LEU . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.43 ' HD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.94 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 8.9 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 70' ' ' LEU . 9.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 10' ' ' LEU . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 61' ' ' LEU . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 10' ' ' LEU . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 39' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.791 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 HD21 ' A' ' 39' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.899 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.791 ' CG ' HG23 ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.542 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.512 HG21 HD11 ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.463 ' CD2' ' CH2' ' A' ' 30' ' ' TRP . 24.6 t-80 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.104 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.427 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.899 HG23 HD21 ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.48 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HB3' HD11 ' A' ' 82' ' ' LEU . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.855 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 40.3 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 53' ' ' ARG . 1.5 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 26' ' ' GLY . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 39' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.3 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD21 HG23 ' A' ' 8' ' ' VAL . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 39' ' ' LEU . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD21 HG23 ' A' ' 42' ' ' VAL . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.789 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HG3' HD22 ' A' ' 54' ' ' LEU . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 26.8 t-80 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.056 HD13 HD22 ' A' ' 82' ' ' LEU . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.755 ' HB3' HD11 ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.787 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.707 ' HB3' HD21 ' A' ' 61' ' ' LEU . 13.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 56' ' ' TYR . 11.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 70' ' ' LEU . 42.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 61' ' ' LEU . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 8' ' ' VAL . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.8 m80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.056 HD22 HD13 ' A' ' 39' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 26' ' ' GLY . 16.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.809 HG23 ' CG ' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 21' ' ' ASP . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 HD21 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.632 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.809 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.751 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HD13 ' A' ' 35' ' ' LEU . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD21 HG21 ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 39' ' ' LEU . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.986 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.744 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD13 HD22 ' A' ' 61' ' ' LEU . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG21 ' CD1' ' A' ' 71' ' ' LEU . 7.1 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 8' ' ' VAL . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.646 ' OE1' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' HB2' HD12 ' A' ' 67' ' ' LEU . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.062 HD13 HD22 ' A' ' 82' ' ' LEU . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 39' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.665 ' OE1' HD21 ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.899 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.822 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.2 t80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 56' ' ' TYR . 16.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' ' 30' ' ' TRP . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 HD22 ' A' ' 61' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 8' ' ' VAL . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 39' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' HG2' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.622 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD11 ' HG ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.643 ' HB2' HD12 ' A' ' 67' ' ' LEU . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 70' ' ' LEU . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 27.0 t-80 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.125 HD13 HD22 ' A' ' 82' ' ' LEU . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.637 ' CB ' HD11 ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.669 ' HB3' HD21 ' A' ' 61' ' ' LEU . 11.7 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 70' ' ' LEU . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.447 ' OE1' HD21 ' A' ' 70' ' ' LEU . 32.0 mt-30 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 30' ' ' TRP . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 61' ' ' LEU . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 8' ' ' VAL . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 37.0 m80 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.125 HD22 HD13 ' A' ' 39' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 26' ' ' GLY . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.822 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 71' ' ' LEU . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 39' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD21 HG23 ' A' ' 42' ' ' VAL . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.822 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.854 ' HG3' HD22 ' A' ' 54' ' ' LEU . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 21.3 t-80 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.018 HD13 HD22 ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.75 ' OE1' HD21 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.854 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.494 ' CB ' HD21 ' A' ' 61' ' ' LEU . 11.1 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.846 HD22 HD13 ' A' ' 70' ' ' LEU . 46.8 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 10' ' ' LEU . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.846 HD13 HD22 ' A' ' 61' ' ' LEU . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 10' ' ' LEU . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.602 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 22.7 m80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.55 HG13 ' HE3' ' A' ' 13' ' ' LYS . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 39' ' ' LEU . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 26' ' ' GLY . 28.4 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.843 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 78' ' ' HIS . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD23 ' HE3' ' A' ' 13' ' ' LYS . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.821 HG21 HD21 ' A' ' 39' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 42' ' ' VAL . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.438 ' HH2' ' CE1' ' A' ' 38' ' ' HIS . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' SER . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG3' HD22 ' A' ' 54' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 25.0 t-80 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.609 ' CG ' HD11 ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.903 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 5.4 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 80' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.457 ' OE1' HD21 ' A' ' 70' ' ' LEU . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 61' ' ' LEU . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 10' ' ' LEU . 79.0 m-70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 39' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 71' ' ' LEU . 5.9 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 HG22 ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 71' ' ' LEU . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.74 HG21 HD21 ' A' ' 39' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 42' ' ' VAL . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.671 HG12 ' HE3' ' A' ' 36' ' ' LYS . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HE3' HG12 ' A' ' 32' ' ' VAL . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 20.8 t-80 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HD22 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 22' ' ' LEU . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.629 ' CB ' HD11 ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.758 ' N ' HD22 ' A' ' 60' ' ' LEU . 7.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' CD ' HD21 ' A' ' 70' ' ' LEU . 55.3 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 26' ' ' GLY . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 10' ' ' LEU . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.448 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 51.7 m80 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.031 HD22 HD13 ' A' ' 39' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 12.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 71' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD23 ' HZ1' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HZ1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.656 HD21 HG23 ' A' ' 42' ' ' VAL . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 61' ' ' LEU . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 HD21 ' A' ' 22' ' ' LEU . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.483 HD11 HD23 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.565 ' HB3' HD21 ' A' ' 61' ' ' LEU . 8.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 61' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 60' ' ' LEU . 10.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 10' ' ' LEU . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 61' ' ' LEU . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 8' ' ' VAL . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.596 ' ND1' HD13 ' A' ' 71' ' ' LEU . 5.2 m80 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 11' ' ' LEU . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 39' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 71' ' ' LEU . 23.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.866 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.877 HD21 HD11 ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.665 HD22 ' HZ1' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.754 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 43' ' ' TYR . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.866 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 54' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 82' ' ' LEU . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.7 ' HD3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.694 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.794 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.6 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.794 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.563 HD13 HD11 ' A' ' 10' ' ' LEU . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.775 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 8' ' ' VAL . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.713 ' ND1' HD13 ' A' ' 71' ' ' LEU . 4.0 m80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.754 HG11 ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' GLY . 6.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.501 HG22 ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 78' ' ' HIS . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.08 HG21 HD21 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' HD22 ' A' ' 11' ' ' LEU . 1.6 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' SER . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.3 t-80 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD21 HG21 ' A' ' 12' ' ' VAL . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 22' ' ' LEU . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.764 ' OE1' HD21 ' A' ' 82' ' ' LEU . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.865 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.2 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 61' ' ' LEU . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 10' ' ' LEU . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.815 ' HB2' HD23 ' A' ' 10' ' ' LEU . 37.3 m80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.032 HD22 HD13 ' A' ' 39' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.9 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 71' ' ' LEU . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.875 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.455 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HG ' HD21 ' A' ' 54' ' ' LEU . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 34.5 t-80 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.135 HD13 HD22 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' CG ' HD11 ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.711 ' HB3' HD21 ' A' ' 61' ' ' LEU . 12.2 t80 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 2.3 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.925 HD22 HD13 ' A' ' 70' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 30' ' ' TRP . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD22 ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.7 m80 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' HE3' ' A' ' 13' ' ' LYS . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 36.3 m80 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.135 HD22 HD13 ' A' ' 39' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.04 107.78 20.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 144.28 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 88.63 0.08 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.62 1.2 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -125.41 -59.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.82 -179.3 22.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.811 HG21 ' CD1' ' A' ' 71' ' ' LEU . 14.8 m -117.42 154.68 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.937 HG21 HD21 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.12 138.03 32.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.02 69.76 5.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.833 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' PRO . 2.5 m120 40.51 65.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -151.9 21.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NH2' ' CZ ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER 178.55 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER 80.92 170.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 109.541 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.93 158.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -127.76 175.57 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD21 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.795 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 54' ' ' LEU . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.433 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 18.0 t-80 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.485 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' HD21 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CZ ' ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.698 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.0 t80 -132.84 98.06 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 71.01 31.6 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 -33.93 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.08 112.56 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp -67.03 138.77 57.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD22 HD13 ' A' ' 70' ' ' LEU . 17.7 mt -90.9 159.12 16.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 64' ' ' HIS . 91.6 mt -91.45 -96.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.38 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.443 ' CE1' HD13 ' A' ' 62' ' ' LEU . 36.6 p-80 -76.24 -28.44 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -53.3 146.23 12.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 10' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.806 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.811 ' CD1' HG21 ' A' ' 8' ' ' VAL . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo -75.01 -168.45 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.75 43.72 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -161.07 -62.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -49.45 173.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 77' ' ' ARG . 14.5 mttt -117.22 144.31 44.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER 53.69 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.624 ' CD2' HD13 ' A' ' 71' ' ' LEU . 4.5 m-70 -147.79 148.71 31.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.65 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 2.0 m80 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 39' ' ' LEU . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.44 140.25 31.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -139.1 119.23 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 87' ' ' LYS . 4.0 m -84.08 -151.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 86' ' ' VAL . 1.7 ttpt -148.2 69.68 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.03 146.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.082 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.98 163.32 17.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 78.97 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -45.74 159.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.177 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m 60.32 160.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.437 1.085 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.02 78.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 133.76 1.92 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -122.34 -54.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -47.46 -53.58 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 -151.47 19.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.9 m -111.25 174.35 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.671 HD13 ' OE1' ' A' ' 23' ' ' GLU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.721 HG21 HD21 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.47 85.83 17.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.553 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 53.09 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.553 ' ND2' ' O ' ' A' ' 15' ' ' PRO . 1.4 p30 159.09 -55.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 68.03 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 53.07 102.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -41.39 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.83 179.02 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.16 93.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.671 ' OE1' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HG3' HD22 ' A' ' 54' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 82' ' ' LEU . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG23 HD21 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB3' HD11 ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.922 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HB3' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 -89.73 -7.02 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.63 88.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.961 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.12 25.66 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 57' ' ' SER . 2.2 pttt -150.45 101.42 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -61.86 149.6 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.8 mt -91.77 166.57 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 HD13 ' NE2' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -114.9 161.4 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -32.17 59.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' NE2' HD13 ' A' ' 62' ' ' LEU . 25.0 p80 -83.06 51.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.2 165.84 29.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 10' ' ' LEU . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.627 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 159.73 40.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -110.23 81.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.68 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -65.47 168.01 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 139.79 35.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 49.38 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.664 ' ND1' HD13 ' A' ' 71' ' ' LEU . 14.9 m80 -152.02 148.46 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.659 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 39' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.99 146.54 26.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -127.63 112.81 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.633 ' O ' HG12 ' A' ' 86' ' ' VAL . 93.6 t -95.49 46.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 137.78 58.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.61 141.34 51.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.03 171.36 30.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.415 1.072 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.92 96.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 p -168.57 -56.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -104.73 -53.83 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.37 -67.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 146.84 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 76.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.45 83.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.71 -145.85 4.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 26' ' ' GLY . 8.1 m -136.05 174.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.769 HD13 ' CD ' ' A' ' 23' ' ' GLU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 18' ' ' ARG . 8.2 t -113.44 94.01 29.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.12 2.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER 179.9 71.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' ASN . 3.2 mt-30 38.55 61.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -128.36 -47.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 70.81 -62.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.565 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -39.17 149.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.5 178.58 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 HG23 ' A' ' 42' ' ' VAL . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' CD ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' CG2' HD11 ' A' ' 70' ' ' LEU . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 25.0 t-80 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 82' ' ' LEU . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 22' ' ' LEU . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.2 t80 -89.4 -8.25 53.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.64 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.28 22.79 1.03 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -148.45 106.35 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -66.07 150.34 48.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 70' ' ' LEU . 12.6 mt -89.18 166.14 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -114.95 167.51 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -80.26 -30.32 38.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.474 ' NE2' HD13 ' A' ' 62' ' ' LEU . 11.5 p80 -87.04 46.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.654 ' OE1' HD21 ' A' ' 70' ' ' LEU . 54.4 mt-30 -144.03 155.22 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 61' ' ' LEU . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD11 HD21 ' A' ' 10' ' ' LEU . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.97 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -155.59 123.45 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -173.13 67.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 168.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.08 170.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.56 1.162 . . . . 0.0 110.228 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.594 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 6.3 m80 -113.79 142.8 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.498 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' HE3' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.607 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.984 HD13 ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.05 140.7 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -109.1 -155.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.01 90.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -53.11 178.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.07 86.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.82 161.82 18.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 125.32 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 75.08 -57.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -152.97 124.55 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -149.23 104.64 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.32 66.19 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -153.91 136.93 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -98.64 86.16 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.61 -174.7 23.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 27' ' ' ASP . 5.7 m -122.37 174.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.371 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.826 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 71' ' ' LEU . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE3' ' A' ' 13' ' ' LYS . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.883 HG21 HD21 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -126.2 118.0 23.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.64 -56.96 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -51.07 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 38.75 78.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 -70.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.655 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -135.44 145.15 46.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 11' ' ' LEU . 23.1 m-20 -93.3 164.33 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 43' ' ' TYR . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.826 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 8' ' ' VAL . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 63' ' ' ASP . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HE3' HG12 ' A' ' 32' ' ' VAL . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.02 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG23 HD21 ' A' ' 22' ' ' LEU . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.65 ' CB ' HD11 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HD2' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.559 HD11 ' HD2' ' A' ' 53' ' ' ARG . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 17.0 t80 -102.87 95.68 6.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.84 20.69 10.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.72 -21.37 23.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 111.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? -69.13 139.18 54.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.776 ' H ' HD22 ' A' ' 60' ' ' LEU . 10.5 mt -97.5 152.12 19.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 5.6 mt -85.11 -75.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 161.02 -58.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -66.51 -13.45 60.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -58.92 -179.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' ND1' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -75.03 -167.91 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 139.45 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.99 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -173.21 118.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.32 173.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -83.84 177.87 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 8.7 m80 -123.2 143.88 49.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.02 HD22 HD13 ' A' ' 39' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' VAL . 21.6 t -87.62 132.62 34.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 1.6 p30 -48.91 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 84' ' ' CYS . 34.1 m -72.93 64.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -124.5 -176.96 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.34 -145.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 135.74 19.36 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.463 1.77 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -170.98 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -164.38 -57.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 59.54 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.59 159.01 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.18 -143.84 7.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -143.91 -59.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -141.99 -56.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.65 177.85 5.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.8 m -112.24 172.12 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.651 HG22 ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD23 ' HE3' ' A' ' 13' ' ' LYS . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 1.3 m -119.71 113.0 34.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.21 5.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -140.41 -49.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -178.95 -61.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 9.1 mtp180 -175.05 57.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -58.97 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.41 169.41 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -126.65 120.38 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HG2' HG22 ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 24' ' ' LEU . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HG3' HD22 ' A' ' 54' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 16.4 t-80 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.126 HD13 HD22 ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.462 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.618 ' CB ' HD11 ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.949 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG13 HD12 ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.888 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.1 t80 -132.72 110.12 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t 77.88 6.47 2.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.96 -33.54 5.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 122.65 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -67.85 138.44 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 56' ' ' TYR . 18.2 mt -83.91 163.38 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.2 -107.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -164.7 -44.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -77.71 -29.69 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 mm100 -50.91 136.25 23.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 10' ' ' LEU . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.6 HD13 HD22 ' A' ' 61' ' ' LEU . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 -164.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -34.12 74.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.74 -72.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.32 56.08 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 51.08 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.385 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.43 169.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 -118.96 151.19 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 11' ' ' LEU . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.126 HD22 HD13 ' A' ' 39' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 141.36 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 86' ' ' VAL . 25.3 t30 -87.32 11.06 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.594 1.183 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER 69.21 144.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -128.94 136.29 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -179.13 -58.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.69 127.15 5.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.87 3.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -103.02 106.42 16.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 p -40.93 110.18 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.593 1.183 . . . . 0.0 111.023 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 64.1 82.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.42 91.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.6 -114.1 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 61.13 79.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 110.05 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -144.75 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.938 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -147.27 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 26' ' ' GLY . 5.0 m -126.48 166.75 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 108.62 59.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.07 75.81 3.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -154.03 -46.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ARG . 1.3 mm-40 -179.34 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.3 mtt85 38.57 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.61 120.59 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 54.46 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -154.57 155.78 35.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 42' ' ' VAL . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.786 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.54 HG11 ' O ' ' A' ' 62' ' ' LEU . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 29.1 t-80 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD13 HD22 ' A' ' 82' ' ' LEU . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 22' ' ' LEU . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.823 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.548 ' HB3' HD21 ' A' ' 61' ' ' LEU . 6.1 t80 -78.47 -19.51 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 168.24 92.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.85 23.37 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' SER . 1.9 mttp -150.56 107.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -64.72 148.85 50.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 70' ' ' LEU . 15.7 mt -92.06 164.58 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' O ' HG11 ' A' ' 32' ' ' VAL . 79.8 mt -114.3 169.1 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.75 -38.7 38.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 10.1 p80 -80.79 53.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.479 ' CG ' ' HB2' ' A' ' 62' ' ' LEU . 14.7 mt-30 -140.84 176.96 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 27' ' ' ASP . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 61' ' ' LEU . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 10' ' ' LEU . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.616 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.98 -178.71 4.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.13 173.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.67 138.95 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.82 -61.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.61 164.62 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -60.47 164.27 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.616 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 7.7 m80 -108.18 152.5 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 32.3 m80 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.08 HD22 HD13 ' A' ' 39' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 15' ' ' PRO . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t -79.73 146.02 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -166.5 143.11 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.27 121.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -88.46 107.1 18.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.14 141.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.56 -178.27 27.18 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 142.08 27.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -83.73 138.84 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.1 -56.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -80.73 118.68 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -112.64 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 97.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 0.801 . . . . 0.0 109.961 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 m -131.44 101.43 5.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.74 32.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.896 HG21 ' CD1' ' A' ' 71' ' ' LEU . 23.6 m -100.44 165.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.712 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 71' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 39' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE3' HG13 ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.67 105.2 49.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.01 29.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 41.92 81.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -116.99 -52.2 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.8 169.59 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 156.14 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.19 129.5 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD21 HG23 ' A' ' 42' ' ' VAL . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.798 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 54' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HG3' HD22 ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.928 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.48 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 39' ' ' LEU . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.632 ' CB ' HD11 ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.889 ' HD3' HD11 ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 14.7 t80 -108.52 103.84 13.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t 68.35 16.03 9.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.02 -4.29 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.67 118.0 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.889 HD11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -68.94 154.75 41.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 60' ' ' LEU . 14.8 mt -106.52 157.15 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD12 ' CD ' ' A' ' 65' ' ' GLN . 10.6 mt -85.14 -78.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER 160.28 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' HE1' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.21 33.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.564 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.706 ' CD ' HD12 ' A' ' 62' ' ' LEU . 6.0 mt-30 -116.78 151.79 35.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 27' ' ' ASP . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD1' HD13 ' A' ' 61' ' ' LEU . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.896 ' CD1' HG21 ' A' ' 8' ' ' VAL . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.02 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 60.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -149.02 170.76 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.99 94.66 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -174.42 148.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' CD ' ' HB ' ' A' ' 9' ' ' THR . 18.9 mmt180 -71.45 171.37 11.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.587 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.8 m80 -123.88 152.8 41.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.928 HD22 HD13 ' A' ' 39' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -83.61 130.65 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.64 113.37 10.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.8 p -146.78 125.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 140.97 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -167.34 82.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.21 171.0 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.0 5.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -58.31 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -141.23 123.21 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.01 124.95 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 159.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -175.57 0.6 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -72.88 109.05 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -101.35 75.6 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.38 175.88 27.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.7 m -122.43 166.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.804 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' HE3' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 HD21 ' A' ' 39' ' ' LEU . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -124.06 102.84 33.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 59.83 5.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.2 t30 174.2 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 43.3 tt0 -55.63 -44.74 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.9 mtp180 38.18 74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 2.2 p80 -132.01 -60.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.543 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' A' ' 19' ' ' HIS . 2.0 mtt180 -139.64 163.55 32.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.93 128.62 56.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 42' ' ' VAL . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.804 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 67' ' ' LEU . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG12 ' HE3' ' A' ' 36' ' ' LYS . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HE3' HG12 ' A' ' 32' ' ' VAL . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.472 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 22' ' ' LEU . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' HD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.94 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 8.9 t80 -105.18 100.77 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 21.91 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.23 -13.35 48.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.425 1.078 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? -67.3 139.29 57.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 70' ' ' LEU . 9.6 mt -97.2 151.29 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -83.68 -86.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 178.53 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.391 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -63.58 -32.84 74.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -47.53 145.98 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 10' ' ' LEU . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 61' ' ' LEU . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 10' ' ' LEU . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 64.63 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.8 tt0 68.51 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 59.94 -85.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' GLN . 11.7 pttt -159.21 175.83 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -41.47 132.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 -94.55 145.58 24.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 39' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -88.77 136.01 33.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -69.95 91.33 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.6 m -70.52 67.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.21 101.15 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.4 79.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.43 154.07 34.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.07 32.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -47.72 -52.22 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t 56.57 164.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.32 150.68 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.13 107.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.7 7.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 132.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.04 -68.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.88 -142.09 16.93 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.09 172.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.791 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 HD21 ' A' ' 39' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 2.9 m -130.04 104.39 16.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.64 4.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.1 m120 -171.59 33.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' ASN . 8.2 tt0 36.37 63.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -75.98 -70.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 1.8 m170 174.19 108.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 45.44 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -112.97 160.17 18.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.899 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.791 ' CG ' HG23 ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.542 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.512 HG21 HD11 ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.463 ' CD2' ' CH2' ' A' ' 30' ' ' TRP . 24.6 t-80 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.104 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.427 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.899 HG23 HD21 ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.48 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD2' ' ND2' ' A' ' 85' ' ' ASN . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HB3' HD11 ' A' ' 82' ' ' LEU . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.855 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 40.3 t80 -121.48 97.05 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 1.9 t 79.99 8.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' C ' HG23 ' A' ' 55' ' ' ILE . . . 117.85 -31.57 5.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -76.26 125.09 28.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 53' ' ' ARG . 1.5 tp -74.6 148.84 40.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt -95.28 156.6 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.8 -110.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -164.57 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -73.94 -7.38 52.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -73.96 141.95 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 26' ' ' GLY . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.08 -167.86 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -43.85 -49.54 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLU . 10.3 pt20 -178.82 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER 38.21 65.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.53 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.611 1.194 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -44.82 154.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.087 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -95.32 119.21 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.556 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 39' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.28 136.1 38.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 51' ' ' ASP . 9.0 p-10 -81.11 -152.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.745 HG23 ' N ' ' A' ' 87' ' ' LYS . 2.4 m -82.61 -151.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.745 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -122.98 57.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.81 94.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.47 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.36 26.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.9 p -157.85 119.66 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 m 73.55 -67.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -110.34 156.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.45 97.79 3.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -120.17 1.89 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 49.22 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.52 103.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.23 175.22 29.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.3 m -107.88 153.55 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 77' ' ' ARG . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD21 HG23 ' A' ' 8' ' ' VAL . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 39' ' ' LEU . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m -130.29 95.75 26.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.8 4.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 179.13 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ARG . 6.9 pt20 -89.25 -28.24 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.3 mtm180 38.58 61.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' ARG . 9.7 m80 -135.86 115.38 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 59.89 148.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.333 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -112.45 152.76 28.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD21 HG23 ' A' ' 42' ' ' VAL . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.789 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 62' ' ' LEU . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HG3' HD22 ' A' ' 54' ' ' LEU . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 26.8 t-80 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.056 HD13 HD22 ' A' ' 82' ' ' LEU . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.755 ' HB3' HD11 ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.787 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.707 ' HB3' HD21 ' A' ' 61' ' ' LEU . 13.4 t80 -126.77 92.9 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t 73.42 28.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.62 -32.57 7.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 115.96 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp -69.77 148.93 48.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.388 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 56' ' ' TYR . 11.1 mt -100.6 160.47 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -122.24 171.07 9.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.19 -34.05 37.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 10.4 p80 -84.78 48.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 70' ' ' LEU . 42.2 mt-30 -147.84 156.93 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 61' ' ' LEU . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 8' ' ' VAL . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.32 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.78 13.61 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -122.06 -177.76 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.251 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.06 150.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -66.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 4.1 mtm180 -89.92 161.34 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -128.84 136.6 50.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.557 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.056 HD22 HD13 ' A' ' 39' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.88 137.11 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.0 t30 -137.19 28.65 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -39.47 97.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -117.81 137.63 52.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.61 130.84 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.387 1.055 . . . . 0.0 109.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.84 -146.28 4.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.23 5.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -178.38 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m 65.91 147.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.441 1.088 . . . . 0.0 110.959 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -40.33 156.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -164.18 112.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -118.46 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -111.58 121.78 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.82 78.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.45 -156.4 16.42 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 26' ' ' GLY . 16.9 m -117.36 169.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.809 HG23 ' CG ' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 21' ' ' ASP . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 HD21 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m -120.46 119.31 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -10.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -125.81 -79.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.97 75.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -69.98 58.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -109.47 96.99 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 57.99 171.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.244 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.632 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -121.55 165.3 15.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.809 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.751 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HD13 ' A' ' 35' ' ' LEU . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD21 HG21 ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 39' ' ' LEU . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.986 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.6 t80 -134.99 127.32 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.63 13.74 5.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.95 -3.23 60.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 139.2 36.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.744 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? -83.13 137.05 34.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.2 mt -92.64 160.48 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -88.15 -102.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -171.58 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -75.59 -20.39 58.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.45 148.55 41.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD13 HD22 ' A' ' 61' ' ' LEU . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 60.42 6.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 56.56 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 179.99 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -174.66 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.466 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -156.58 -171.23 3.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.1 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 -148.47 147.34 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t -85.36 137.63 32.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.96 -155.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.91 127.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -179.99 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.29 -45.22 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.13 127.76 39.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 145.79 44.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -136.02 -58.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.02 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.2 159.02 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.4 96.11 3.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.36 -62.28 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.51 79.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.4 88.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -156.78 23.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG21 ' CD1' ' A' ' 71' ' ' LEU . 7.1 m -111.54 167.97 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 8' ' ' VAL . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -115.78 112.23 42.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.8 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -133.86 -53.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -173.34 -56.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 3.7 mtp180 -179.13 57.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -59.4 -69.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.94 161.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.63 134.06 51.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.646 ' OE1' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' HB2' HD12 ' A' ' 67' ' ' LEU . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.062 HD13 HD22 ' A' ' 82' ' ' LEU . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 39' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB3' ' CB ' ' A' ' 85' ' ' ASN . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.665 ' OE1' HD21 ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.899 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.822 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.2 t80 -124.43 109.63 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t 76.78 4.98 3.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.88 -30.43 7.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 132.86 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -72.9 149.95 43.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 56' ' ' TYR . 16.3 mt -97.3 160.43 14.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' HB3' ' CE1' ' A' ' 64' ' ' HIS . 5.7 mt -112.04 150.41 30.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.41 -40.73 81.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 62' ' ' LEU . 20.4 p-80 -66.97 -12.89 61.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.551 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' HD12 ' A' ' 62' ' ' LEU . 6.5 mm-40 -87.82 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' ' 30' ' ' TRP . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 HD22 ' A' ' 61' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 8' ' ' VAL . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -74.98 170.64 19.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -92.15 66.33 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -175.49 146.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.06 . . . . 0.0 110.304 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.61 110.7 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -173.15 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.3 OUTLIER -44.7 141.27 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 -112.71 147.5 36.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.65 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 39' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 143.39 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 54.5 t30 -92.94 27.08 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.22 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -150.31 125.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.01 154.08 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.37 153.59 46.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.943 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.08 -168.29 14.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.567 1.825 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.3 m -101.18 148.12 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.0 m -58.21 163.54 2.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.21 85.37 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.49 157.05 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.87 -74.6 0.35 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.84 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 58.74 86.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.32 177.13 24.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.0 m -107.12 174.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' HG2' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -96.98 117.45 65.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -36.24 2.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.77 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 176.43 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -61.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 178.81 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 162.6 28.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -43.78 123.87 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.622 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD11 ' HG ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.643 ' HB2' HD12 ' A' ' 67' ' ' LEU . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 62' ' ' LEU . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 27.0 t-80 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.125 HD13 HD22 ' A' ' 82' ' ' LEU . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.637 ' CB ' HD11 ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.669 ' HB3' HD21 ' A' ' 61' ' ' LEU . 11.7 t80 -126.9 105.02 8.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.4 t 80.75 3.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.28 6.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 129.83 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -72.99 150.39 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 70' ' ' LEU . 11.6 mt -96.16 155.03 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.562 HD12 ' NE2' ' A' ' 65' ' ' GLN . 15.6 mt -112.13 165.13 12.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.85 -42.65 32.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 4.5 p80 -75.64 55.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' NE2' HD12 ' A' ' 62' ' ' LEU . 32.0 mt-30 -147.1 174.67 11.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 1.19 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 30' ' ' TRP . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 61' ' ' LEU . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 8' ' ' VAL . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -135.48 54.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -175.51 59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.5 155.24 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -82.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -98.7 168.29 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 37.0 m80 -123.64 152.24 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.125 HD22 HD13 ' A' ' 39' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.3 t -89.07 144.25 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' VAL . 29.4 t-20 -91.88 16.48 10.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' ASN . 85.2 t 62.11 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.65 157.95 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.89 87.1 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.19 -165.86 12.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 59.24 5.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -121.76 99.93 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.52 -57.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.02 146.73 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -133.69 122.37 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.41 -156.6 6.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.64 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.915 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -51.87 -61.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 171.65 21.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 26' ' ' GLY . 4.6 m -104.17 162.45 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.822 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 71' ' ' LEU . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 39' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m -125.94 129.43 24.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.13 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 178.65 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 77.94 74.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -146.91 -54.41 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -95.01 128.4 41.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -46.5 158.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -68.53 159.41 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD21 HG23 ' A' ' 42' ' ' VAL . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.822 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.854 ' HG3' HD22 ' A' ' 54' ' ' LEU . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 21.3 t-80 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.018 HD13 HD22 ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.75 ' OE1' HD21 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.854 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 57' ' ' SER . 11.1 t80 -96.32 -87.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 56.4 p -94.32 54.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.54 -2.69 37.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -116.15 126.92 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.71 145.41 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.846 HD22 HD13 ' A' ' 70' ' ' LEU . 46.8 mt -86.29 163.04 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.3 mt -82.78 -90.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 174.69 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -80.0 -23.47 41.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -51.79 152.74 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 10' ' ' LEU . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.846 HD13 HD22 ' A' ' 61' ' ' LEU . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 10' ' ' LEU . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 175.26 11.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -107.84 111.68 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 66.22 83.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.07 176.31 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.42 175.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -52.52 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.602 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 22.7 m80 -113.06 136.86 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.55 HG13 ' HE3' ' A' ' 13' ' ' LYS . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 39' ' ' LEU . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.59 135.44 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -141.53 122.85 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.2 134.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 -167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.8 90.26 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.34 157.17 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t 53.78 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m 55.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -147.4 -58.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.961 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.69 101.97 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.05 102.41 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -89.28 108.38 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -173.04 119.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.48 -162.99 24.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 26' ' ' GLY . 28.4 m -109.12 174.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.843 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 78' ' ' HIS . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD23 ' HE3' ' A' ' 13' ' ' LYS . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.821 HG21 HD21 ' A' ' 39' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.5 104.5 53.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.11 73.43 4.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 3.2 m-20 157.86 -55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.41 -46.36 86.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 38.74 74.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 -62.3 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -139.43 146.4 40.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.47 154.06 18.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 42' ' ' VAL . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.438 ' HH2' ' CE1' ' A' ' 38' ' ' HIS . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' SER . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG3' HD22 ' A' ' 54' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 25.0 t-80 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.609 ' CG ' HD11 ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.903 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 5.4 t80 -81.93 -9.99 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.19 90.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.16 24.34 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.58 105.82 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.64 151.0 45.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 80' ' ' LEU . 9.3 mt -91.38 166.41 12.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.753 HD12 ' HG3' ' A' ' 65' ' ' GLN . 3.9 mt -109.71 140.77 43.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -62.84 -31.62 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' HD13 ' A' ' 62' ' ' LEU . 2.4 p80 -75.29 -14.81 60.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.557 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG3' HD12 ' A' ' 62' ' ' LEU . 1.8 mm-40 -87.83 143.38 27.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 61' ' ' LEU . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.5 40.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -82.94 111.95 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.47 97.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.07 173.1 16.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -49.74 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 10' ' ' LEU . 79.0 m-70 -123.45 151.53 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 39' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t -81.4 140.27 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -154.07 136.1 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 87' ' ' LYS . 1.4 p -128.74 -159.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.652 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 63.14 141.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 -40.71 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.21 -172.55 42.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 66.92 5.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.9 t -153.93 -60.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 149.37 29.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m 60.0 164.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -170.17 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.03 101.17 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.573 1.171 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -63.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -138.93 85.96 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.98 -133.13 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 71' ' ' LEU . 5.9 m -127.8 119.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 HG22 ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 71' ' ' LEU . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.74 HG21 HD21 ' A' ' 39' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.47 109.29 46.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.58 4.91 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.523 1.802 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -145.66 -47.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -179.12 45.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.6 mtt85 38.34 87.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -129.76 104.49 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.95 169.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -151.69 158.37 43.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 42' ' ' VAL . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.671 HG12 ' HE3' ' A' ' 36' ' ' LYS . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HE3' HG12 ' A' ' 32' ' ' VAL . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.445 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 20.8 t-80 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HD22 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 22' ' ' LEU . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.629 ' CB ' HD11 ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.0 t80 -109.94 123.99 50.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER 55.16 19.72 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.42 9.85 58.67 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 125.3 52.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? -74.79 137.62 42.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.758 ' N ' HD22 ' A' ' 60' ' ' LEU . 7.0 mt -92.13 154.43 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD13 ' NE2' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -118.96 151.19 38.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.61 -24.35 67.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.548 ' NE2' HD13 ' A' ' 62' ' ' LEU . 7.8 p-80 -91.32 43.7 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' CD ' HD21 ' A' ' 70' ' ' LEU . 55.3 mt-30 -145.19 154.19 42.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 26' ' ' GLY . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 10' ' ' LEU . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -74.98 -172.51 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 74' ' ' GLN . 1.2 tppt? -86.81 -62.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -63.88 171.51 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 74.16 131.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CD ' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.51 -74.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' CG ' ' HB ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.7 177.35 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.448 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 51.7 m80 -151.97 150.73 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.031 HD22 HD13 ' A' ' 39' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.1 t -93.32 131.33 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -95.93 -153.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.6 t -151.68 128.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -81.87 -174.5 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.44 177.41 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.052 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -42.37 127.84 4.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -102.2 169.74 8.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 O-C-N 124.434 1.084 . . . . 0.0 110.983 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -157.31 141.55 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -97.09 151.18 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 -71.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.587 1.179 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.94 144.4 30.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 0.741 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.96 79.16 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.57 -154.5 10.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 12.5 m -127.61 172.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 71' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD23 ' HZ1' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HZ1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -127.0 90.4 49.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 62.25 5.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.73 -78.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 tt0 -132.43 -59.27 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -175.84 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -85.62 127.51 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.639 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.2 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.64 155.11 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.656 HD21 HG23 ' A' ' 42' ' ' VAL . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 61' ' ' LEU . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 HD21 ' A' ' 22' ' ' LEU . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.483 HD11 HD23 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 57' ' ' SER . 8.4 t80 -88.72 -88.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.61 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -95.55 62.31 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.14 14.2 24.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.34 110.49 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 0.828 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 61' ' ' LEU . 1.5 tm? -45.35 145.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 60' ' ' LEU . 10.2 mt -86.63 139.91 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' CG ' ' A' ' 65' ' ' GLN . 11.7 mt -70.13 -75.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 162.47 -55.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -63.75 -32.42 73.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' CG ' HD12 ' A' ' 62' ' ' LEU . 26.9 mt-30 -47.49 145.01 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 10' ' ' LEU . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 61' ' ' LEU . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 8' ' ' VAL . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.06 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -121.38 60.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 172.87 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -39.73 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.61 136.92 16.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.95 174.34 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.352 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.596 ' ND1' HD13 ' A' ' 71' ' ' LEU . 5.2 m80 -113.0 135.61 53.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.528 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 11' ' ' LEU . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 39' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 142.12 30.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.59 21.92 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.9 p -151.57 121.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -128.63 76.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.4 t 64.36 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . 126.92 -145.5 15.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 73.81 4.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.16 156.08 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -120.59 97.4 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -131.54 104.22 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.4 130.45 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.7 95.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -155.02 151.07 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.55 -57.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.87 -145.45 17.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 71' ' ' LEU . 23.5 m -121.79 162.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.866 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.877 HD21 HD11 ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.665 HD22 ' HZ1' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.754 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -82.28 114.12 48.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.15 42.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.46 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.67 -54.34 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 10.5 mtt85 38.13 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -141.51 -60.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.05 145.4 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -100.32 153.81 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 43' ' ' TYR . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.866 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 54' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 82' ' ' LEU . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.7 ' HD3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.694 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.794 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.6 t80 -129.86 104.62 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.2 t 83.5 -7.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.82 -8.1 8.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -107.21 130.32 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.791 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -67.93 161.23 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.794 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.6 mt -106.88 162.39 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 65' ' ' GLN . 8.8 mt -109.53 132.89 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -50.89 -22.41 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -31.87 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 62' ' ' LEU . 65.4 mt-30 -58.61 156.61 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.563 HD13 HD11 ' A' ' 10' ' ' LEU . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.775 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 8' ' ' VAL . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.94 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -147.51 101.97 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -159.94 -88.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.21 72.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.32 155.06 3.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -168.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.713 ' ND1' HD13 ' A' ' 71' ' ' LEU . 4.0 m80 -139.4 130.3 26.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.754 HG11 ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.45 161.36 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.67 29.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' LYS . 86.5 t 63.87 125.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER 40.41 68.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.68 -145.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.1 81.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -139.29 116.63 11.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.47 161.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -70.69 106.89 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.01 161.44 13.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -80.58 110.8 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -84.3 -66.79 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.12 -140.3 15.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' GLY . 6.3 m -119.8 172.08 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.501 HG22 ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 78' ' ' HIS . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.08 HG21 HD21 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -116.41 113.02 41.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 62.67 5.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.564 1.823 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 173.2 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.39 -42.67 82.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 38.65 67.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 20' ' ' ARG . 9.1 t-80 -135.59 -81.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.614 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' N ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 ttt180 -96.97 149.86 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' HD22 ' A' ' 11' ' ' LEU . 1.6 p30 -118.37 -179.92 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 62' ' ' LEU . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' LEU . 26.3 t-80 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD21 HG21 ' A' ' 12' ' ' VAL . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 22' ' ' LEU . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 88' ' ' SER . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.764 ' OE1' HD21 ' A' ' 82' ' ' LEU . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.865 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.2 t80 -145.73 106.46 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 77.33 0.25 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.94 -17.85 19.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.067 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 16.2 pttt -89.09 113.16 24.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.3 tm? -59.53 137.34 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -86.07 161.81 18.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -121.7 169.88 10.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.24 -40.01 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 21.5 p80 -79.94 53.71 1.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -138.18 -179.36 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 61' ' ' LEU . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 HD21 ' A' ' 10' ' ' LEU . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.02 -168.02 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 78.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.7 62.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 47.51 -172.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 64.43 138.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.815 ' HB2' HD23 ' A' ' 10' ' ' LEU . 37.3 m80 -120.75 150.4 41.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.032 HD22 HD13 ' A' ' 39' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.81 151.32 22.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.92 -158.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 32.6 m -71.08 66.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.06 132.74 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.42 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -89.14 124.11 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -117.2 -151.68 9.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.35 164.81 11.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.084 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.91 120.64 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.57 -52.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.744 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 60.33 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 158.84 26.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 45.66 87.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.724 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -60.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.14 -139.67 15.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.9 m -123.96 163.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 71' ' ' LEU . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.875 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -129.68 131.5 23.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.02 5.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -44.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 78.16 58.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.216 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -47.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 176.61 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -97.2 152.16 19.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -63.91 164.67 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.455 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HG ' HD21 ' A' ' 54' ' ' LEU . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CE1' ' HH2' ' A' ' 30' ' ' TRP . 34.5 t-80 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.135 HD13 HD22 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' CG ' HD11 ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.711 ' HB3' HD21 ' A' ' 61' ' ' LEU . 12.2 t80 -82.86 -89.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 10.8 m -92.92 70.65 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.86 23.32 1.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.01 107.64 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 2.3 tp -45.84 134.08 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.925 HD22 HD13 ' A' ' 70' ' ' LEU . 52.0 mt -75.08 166.27 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.35 -107.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.87 -63.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -14.38 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -52.67 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 30' ' ' TRP . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD22 ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CD2' ' A' ' 78' ' ' HIS . 17.8 Cg_endo -75.09 179.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -67.56 -70.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -110.38 137.79 47.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 178.61 137.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -139.59 158.27 44.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.7 m80 -107.27 143.7 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.577 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' HE3' ' A' ' 13' ' ' LYS . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 36.3 m80 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.135 HD22 HD13 ' A' ' 39' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.4 p -77.33 144.9 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.36 -154.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -156.83 130.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 167.01 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 92.53 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.24 172.84 37.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 166.73 28.44 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.482 1.78 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.4 t -120.61 -57.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.27 125.42 51.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.811 HG21 ' CD1' ' A' ' 71' ' ' LEU . 14.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.937 HG21 HD21 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD21 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.795 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 54' ' ' LEU . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.485 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' HD21 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.698 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.0 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD22 HD13 ' A' ' 70' ' ' LEU . 17.7 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.28 -0.266 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 10' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.806 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.811 ' CD1' HG21 ' A' ' 8' ' ' VAL . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.624 ' CD2' HD13 ' A' ' 71' ' ' LEU . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 3.0 m-70 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 39' ' ' LEU . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.671 HD13 ' OE1' ' A' ' 23' ' ' GLU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.721 HG21 HD21 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.671 ' OE1' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HG3' HD22 ' A' ' 54' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 82' ' ' LEU . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG23 HD21 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB3' HD11 ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.922 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HB3' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.8 mt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 10' ' ' LEU . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.864 ' CD2' HD13 ' A' ' 71' ' ' LEU . 24.4 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 39' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 26' ' ' GLY . 8.1 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.769 HD13 ' CD ' ' A' ' 23' ' ' GLU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 HG23 ' A' ' 42' ' ' VAL . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' CD ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' CG2' HD11 ' A' ' 70' ' ' LEU . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 82' ' ' LEU . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 22' ' ' LEU . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.612 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.406 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 70' ' ' LEU . 12.6 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.654 ' OE1' HD21 ' A' ' 70' ' ' LEU . 54.4 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 61' ' ' LEU . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.717 HD11 HD21 ' A' ' 10' ' ' LEU . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.9 m-70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' HE3' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.607 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.984 HD13 ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 27' ' ' ASP . 5.7 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.826 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 71' ' ' LEU . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE3' ' A' ' 13' ' ' LYS . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.883 HG21 HD21 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 11' ' ' LEU . 23.1 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 43' ' ' TYR . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.826 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 38' ' ' HIS . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 8' ' ' VAL . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 61' ' ' LEU . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HE3' HG12 ' A' ' 32' ' ' VAL . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.9 t60 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.02 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG23 HD21 ' A' ' 22' ' ' LEU . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.65 ' CB ' HD11 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HD2' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.559 HD11 ' HD2' ' A' ' 53' ' ' ARG . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 17.0 t80 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.776 ' H ' HD22 ' A' ' 60' ' ' LEU . 10.5 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 ' CD2' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.703 ' CD2' HD13 ' A' ' 71' ' ' LEU . 16.3 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.02 HD22 HD13 ' A' ' 39' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.651 HG22 ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD23 ' HE3' ' A' ' 13' ' ' LYS . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HG2' HG22 ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 24' ' ' LEU . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HG3' HD22 ' A' ' 54' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.5 t60 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.126 HD13 HD22 ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.462 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.618 ' CB ' HD11 ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.949 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG13 HD12 ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.888 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.1 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 56' ' ' TYR . 18.2 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 mm100 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 10' ' ' LEU . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.6 HD13 HD22 ' A' ' 61' ' ' LEU . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 11' ' ' LEU . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.126 HD22 HD13 ' A' ' 39' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 26' ' ' GLY . 5.0 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 42' ' ' VAL . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.786 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' SER . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' HD12 ' A' ' 24' ' ' LEU . 8.3 t60 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD13 HD22 ' A' ' 82' ' ' LEU . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 22' ' ' LEU . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.823 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.548 ' HB3' HD21 ' A' ' 61' ' ' LEU . 6.1 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 70' ' ' LEU . 15.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 27' ' ' ASP . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 61' ' ' LEU . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD13 ' CD2' ' A' ' 78' ' ' HIS . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.81 ' CD2' HD13 ' A' ' 71' ' ' LEU . 14.5 m-70 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 36.7 m-70 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.08 HD22 HD13 ' A' ' 39' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.896 HG21 ' CD1' ' A' ' 71' ' ' LEU . 23.6 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.712 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 71' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 39' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE3' HG13 ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD21 HG23 ' A' ' 42' ' ' VAL . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.798 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 54' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HG3' HD22 ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.7 t60 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.928 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.48 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 39' ' ' LEU . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.632 ' CB ' HD11 ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.889 ' HD3' HD11 ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 14.7 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.889 HD11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 60' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 27' ' ' ASP . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD1' HD13 ' A' ' 61' ' ' LEU . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.896 ' CD1' HG21 ' A' ' 8' ' ' VAL . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.701 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.7 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.928 HD22 HD13 ' A' ' 39' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.7 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.804 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' HE3' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 HD21 ' A' ' 39' ' ' LEU . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 42' ' ' VAL . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.804 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 67' ' ' LEU . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG12 ' HE3' ' A' ' 36' ' ' LYS . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HE3' HG12 ' A' ' 32' ' ' VAL . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.472 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 22' ' ' LEU . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.43 ' HD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.94 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 8.9 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 70' ' ' LEU . 9.6 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 10' ' ' LEU . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 61' ' ' LEU . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 10' ' ' LEU . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 39' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.791 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 HD21 ' A' ' 39' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.899 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.791 ' CG ' HG23 ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.542 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.512 HG21 HD11 ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.104 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.427 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.899 HG23 HD21 ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.48 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HB3' HD11 ' A' ' 82' ' ' LEU . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.855 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 40.3 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 53' ' ' ARG . 1.5 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 26' ' ' GLY . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 78' ' ' HIS . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 71' ' ' LEU . 72.5 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 39' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.3 m . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 HD21 HG23 ' A' ' 8' ' ' VAL . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 39' ' ' LEU . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD21 HG23 ' A' ' 42' ' ' VAL . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.789 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HG3' HD22 ' A' ' 54' ' ' LEU . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CD2' HD12 ' A' ' 24' ' ' LEU . 12.7 t60 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.056 HD13 HD22 ' A' ' 82' ' ' LEU . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.755 ' HB3' HD11 ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.787 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.707 ' HB3' HD21 ' A' ' 61' ' ' LEU . 13.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 56' ' ' TYR . 11.1 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 70' ' ' LEU . 42.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 61' ' ' LEU . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 8' ' ' VAL . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 77.5 m-70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.056 HD22 HD13 ' A' ' 39' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 26' ' ' GLY . 16.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.809 HG23 ' CG ' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 21' ' ' ASP . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 HD21 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.632 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.809 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.751 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HD13 ' A' ' 35' ' ' LEU . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD21 HG21 ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 39' ' ' LEU . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.986 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.6 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.744 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.2 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD13 HD22 ' A' ' 61' ' ' LEU . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG21 ' CD1' ' A' ' 71' ' ' LEU . 7.1 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 8' ' ' VAL . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.646 ' OE1' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' HB2' HD12 ' A' ' 67' ' ' LEU . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.431 ' CD2' HD12 ' A' ' 24' ' ' LEU . 11.0 t60 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.062 HD13 HD22 ' A' ' 82' ' ' LEU . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 39' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.665 ' OE1' HD21 ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.899 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.822 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.2 t80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 56' ' ' TYR . 16.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' ' 30' ' ' TRP . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 HD22 ' A' ' 61' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 8' ' ' VAL . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 39' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' HG2' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.622 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD11 ' HG ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.643 ' HB2' HD12 ' A' ' 67' ' ' LEU . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 70' ' ' LEU . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.6 t60 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.125 HD13 HD22 ' A' ' 82' ' ' LEU . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.637 ' CB ' HD11 ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.669 ' HB3' HD21 ' A' ' 61' ' ' LEU . 11.7 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 70' ' ' LEU . 11.6 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.597 ' NE2' HD21 ' A' ' 70' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 30' ' ' TRP . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 61' ' ' LEU . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 78' ' ' HIS . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CD2' HD13 ' A' ' 71' ' ' LEU . 80.6 m-70 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.125 HD22 HD13 ' A' ' 39' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 26' ' ' GLY . 4.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.822 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 71' ' ' LEU . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 39' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD21 HG23 ' A' ' 42' ' ' VAL . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.822 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 38' ' ' HIS . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.854 ' HG3' HD22 ' A' ' 54' ' ' LEU . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.45 ' CD2' HD12 ' A' ' 24' ' ' LEU . 9.8 t60 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.018 HD13 HD22 ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.75 ' OE1' HD21 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.854 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.494 ' CB ' HD21 ' A' ' 61' ' ' LEU . 11.1 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.846 HD22 HD13 ' A' ' 70' ' ' LEU . 46.8 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 10' ' ' LEU . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.846 HD13 HD22 ' A' ' 61' ' ' LEU . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 10' ' ' LEU . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 8' ' ' VAL . 54.4 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.55 HG13 ' HE3' ' A' ' 13' ' ' LYS . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 39' ' ' LEU . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 26' ' ' GLY . 28.4 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.843 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 78' ' ' HIS . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD23 ' HE3' ' A' ' 13' ' ' LYS . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.821 HG21 HD21 ' A' ' 39' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 42' ' ' VAL . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' SER . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG3' HD22 ' A' ' 54' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.609 ' CG ' HD11 ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.903 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 5.4 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 80' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.599 ' NE2' HD21 ' A' ' 70' ' ' LEU . 1.2 mm100 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD21 ' NE2' ' A' ' 65' ' ' GLN . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 10' ' ' LEU . 79.0 m-70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 39' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 71' ' ' LEU . 5.9 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 HG22 ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 71' ' ' LEU . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.74 HG21 HD21 ' A' ' 39' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 42' ' ' VAL . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.671 HG12 ' HE3' ' A' ' 36' ' ' LYS . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HE3' HG12 ' A' ' 32' ' ' VAL . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.2 t60 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HD22 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 22' ' ' LEU . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.629 ' CB ' HD11 ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.758 ' N ' HD22 ' A' ' 60' ' ' LEU . 7.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' CD ' HD21 ' A' ' 70' ' ' LEU . 55.3 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 26' ' ' GLY . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 10' ' ' LEU . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.518 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.518 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 51.0 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.031 HD22 HD13 ' A' ' 39' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 12.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 71' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD23 ' HZ1' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HZ1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.656 HD21 HG23 ' A' ' 42' ' ' VAL . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 61' ' ' LEU . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 HD21 ' A' ' 22' ' ' LEU . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.483 HD11 HD23 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.565 ' HB3' HD21 ' A' ' 61' ' ' LEU . 8.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 61' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 60' ' ' LEU . 10.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 10' ' ' LEU . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 61' ' ' LEU . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.2 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 11' ' ' LEU . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 39' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 71' ' ' LEU . 23.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.866 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.877 HD21 HD11 ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.665 HD22 ' HZ1' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.754 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 43' ' ' TYR . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.866 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 54' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 82' ' ' LEU . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.7 ' HD3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.694 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.794 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.6 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.794 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.6 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.563 HD13 HD11 ' A' ' 10' ' ' LEU . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.775 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' CD2' ' A' ' 78' ' ' HIS . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.4 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.754 HG11 ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' GLY . 6.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.501 HG22 ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 78' ' ' HIS . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.08 HG21 HD21 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' HD22 ' A' ' 11' ' ' LEU . 1.6 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' SER . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.435 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' HD12 ' A' ' 24' ' ' LEU . 14.5 t60 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.08 HD21 HG21 ' A' ' 12' ' ' VAL . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 22' ' ' LEU . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.764 ' OE1' HD21 ' A' ' 82' ' ' LEU . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.865 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.2 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 61' ' ' LEU . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.763 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.815 ' HB2' HD23 ' A' ' 10' ' ' LEU . 84.3 m-70 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.032 HD22 HD13 ' A' ' 39' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.9 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 71' ' ' LEU . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.875 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.455 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HG ' HD21 ' A' ' 54' ' ' LEU . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.135 HD13 HD22 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' CG ' HD11 ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.711 ' HB3' HD21 ' A' ' 61' ' ' LEU . 12.2 t80 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 2.3 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.925 HD22 HD13 ' A' ' 70' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 30' ' ' TRP . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD22 ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 71' ' ' LEU . 6.0 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' HE3' ' A' ' 13' ' ' LYS . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 33.1 m-70 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.135 HD22 HD13 ' A' ' 39' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.04 107.78 20.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.29 144.28 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.24 88.63 0.08 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.62 1.2 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -125.41 -59.11 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.08 -60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.82 -179.3 22.07 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.811 HG21 ' CD1' ' A' ' 71' ' ' LEU . 14.8 m -117.42 154.68 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.5 m -93.32 116.05 28.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.45 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 71' ' ' LEU . 68.8 mt -102.79 122.41 44.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.6 mt -90.34 101.72 14.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.937 HG21 HD21 ' A' ' 39' ' ' LEU . 19.8 t -76.87 94.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.5 mttm -98.7 165.29 11.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.12 138.03 32.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.02 69.76 5.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.584 1.833 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' PRO . 2.5 m120 40.51 65.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 pp0? -151.9 21.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NH2' ' CZ ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER 178.55 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CB ' ' O ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER 80.92 170.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 109.541 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.93 158.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -127.76 175.57 8.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD21 ' CG2' ' A' ' 42' ' ' VAL . 5.6 tp -153.22 120.31 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -102.08 118.23 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -130.68 172.28 12.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 15.2 t -72.13 151.84 42.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.795 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -144.92 48.13 0.73 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.143 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 t0 -37.9 137.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 16.6 mtt85 -62.04 -13.12 23.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.26 -22.71 36.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.576 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 10.2 m0 -54.59 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.8 OUTLIER -143.76 128.89 18.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' SER . 79.7 t -38.71 -51.37 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.9 94.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 13.5 t-160 -69.27 -55.94 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.6 tp -39.53 -54.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 54' ' ' LEU . 71.1 mttt -38.57 -65.83 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.47 -55.49 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -48.24 -42.55 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.021 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -62.48 -58.1 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.485 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -37.84 -30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.77 -70.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' HD21 ' A' ' 22' ' ' LEU . 28.2 m -52.16 -23.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.177 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CZ ' ' NH2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -81.76 123.6 80.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 94.2 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.1 pt-20 166.01 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.3 mmm180 67.92 62.42 0.71 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.05 -164.76 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -110.07 149.83 40.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 -22.56 14.65 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -25.8 25.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.75 -46.55 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.602 ' HB3' HD11 ' A' ' 82' ' ' LEU . 23.4 mt-30 -45.99 109.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 2.9 mtt180 -89.33 109.47 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -92.68 118.95 31.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.8 145.22 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.698 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.0 t80 -132.84 98.06 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 71.01 31.6 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.11 -33.93 5.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.08 112.56 5.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 53' ' ' ARG . 1.4 tp -67.03 138.77 57.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD22 HD13 ' A' ' 70' ' ' LEU . 17.7 mt -90.9 159.12 16.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.339 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 64' ' ' HIS . 91.6 mt -91.45 -96.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.38 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.443 ' CE1' HD13 ' A' ' 62' ' ' LEU . 36.6 p-80 -76.24 -28.44 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.59 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -53.3 146.23 12.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 148.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 10' ' ' LEU . 52.4 mt -62.33 -39.64 93.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -45.13 -56.32 4.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.5 -53.29 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.806 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -53.17 -79.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.811 ' CD1' HG21 ' A' ' 8' ' ' VAL . 6.4 mt -49.43 154.74 1.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.512 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.0 Cg_endo -75.01 -168.45 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.432 1.753 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -137.75 43.72 2.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -161.07 -62.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -49.45 173.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 77' ' ' ARG . 14.5 mttt -117.22 144.31 44.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER 53.69 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.624 ' CD2' HD13 ' A' ' 71' ' ' LEU . 4.5 m-70 -147.79 148.71 31.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.65 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -113.22 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -99.31 167.56 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 3.0 m-70 -132.24 97.46 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.021 HD22 HD13 ' A' ' 39' ' ' LEU . 46.2 tp -92.14 108.55 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.81 123.3 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.1 t -84.44 140.25 31.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -139.1 119.23 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.602 HG23 ' N ' ' A' ' 87' ' ' LYS . 4.0 m -84.08 -151.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' N ' HG23 ' A' ' 86' ' ' VAL . 1.7 ttpt -148.2 69.68 1.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.03 146.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.082 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.98 163.32 17.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.0 110.953 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 78.97 2.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 p -45.74 159.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.177 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.4 m 60.32 160.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.437 1.085 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.02 78.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 133.76 1.92 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -122.34 -54.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.739 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -47.46 -53.58 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.048 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 -151.47 19.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.9 m -111.25 174.35 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -120.86 116.5 25.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 71' ' ' LEU . 12.1 mt -100.52 132.03 46.12 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.671 HD13 ' OE1' ' A' ' 23' ' ' GLU . 4.5 tp -99.65 106.61 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.721 HG21 HD21 ' A' ' 39' ' ' LEU . 5.9 t -78.7 114.22 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -106.04 154.34 20.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.47 85.83 17.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 53.09 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 17' ' ' GLN . 1.4 p-10 159.09 -55.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.559 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -77.15 68.03 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 53.07 102.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -41.39 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.83 179.02 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.16 93.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD21 HG23 ' A' ' 42' ' ' VAL . 11.9 tp -113.23 107.66 16.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.671 ' OE1' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -95.06 116.67 29.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.286 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.21 173.45 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 141.01 42.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.96 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -131.88 51.71 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 34.4 t70 -38.72 133.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.73 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -58.29 -15.67 11.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.2 -30.05 23.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 8.1 m0 -47.96 168.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -128.4 133.07 48.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.175 . . . . 0.0 109.982 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD11 ' A' ' 70' ' ' LEU . 48.3 t -38.85 -64.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.99 -35.77 33.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.521 1.138 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.7 t-160 -70.97 -57.51 4.49 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.51 0.771 . . . . 0.0 109.661 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' HD11 ' A' ' 24' ' ' LEU . 13.9 tp -39.26 -59.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HG3' HD22 ' A' ' 54' ' ' LEU . 85.7 mttt -38.56 -60.07 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -49.78 41.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -58.95 -46.35 88.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.641 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 82' ' ' LEU . 3.1 mt -53.9 -65.78 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.544 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -39.05 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.33 -53.45 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG23 HD21 ' A' ' 22' ' ' LEU . 2.0 m -71.31 -18.24 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.55 126.32 66.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.96 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 163.77 -33.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 11.5 mmm180 67.96 63.5 0.68 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.95 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -112.56 148.29 38.92 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -21.73 15.5 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.561 1.822 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -28.99 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.54 -46.68 11.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB3' HD11 ' A' ' 82' ' ' LEU . 19.9 mt-30 -44.49 107.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.613 1.195 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -91.61 113.19 25.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.922 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -95.04 112.43 24.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.6 mp -119.65 115.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' HB3' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 -89.73 -7.02 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.63 88.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.961 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.12 25.66 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 57' ' ' SER . 2.2 pttt -150.45 101.42 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -61.86 149.6 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 80' ' ' LEU . 8.8 mt -91.77 166.57 12.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -114.9 161.4 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -32.17 59.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.625 ' CE1' HD13 ' A' ' 62' ' ' LEU . 32.2 p-80 -83.06 51.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.585 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -148.2 165.84 29.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.374 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 145.64 47.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.33 -46.3 76.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -40.14 -69.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -56.64 -56.01 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 32' ' ' VAL . 14.3 mt -39.39 -73.13 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 10' ' ' LEU . 22.9 mt -65.5 144.05 98.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 159.73 40.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.418 1.746 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -110.23 81.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.68 -60.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -65.47 168.01 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.78 139.79 35.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 49.38 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.864 ' CD2' HD13 ' A' ' 71' ' ' LEU . 24.4 m-70 -152.02 148.46 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.659 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 HG13 ' HE3' ' A' ' 13' ' ' LYS . 63.8 t -111.74 117.85 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.31 172.76 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ILE . 71.1 m-70 -137.37 99.65 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 39' ' ' LEU . 48.1 tp -88.9 96.18 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.7 t -92.19 127.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.99 146.54 26.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -127.63 112.81 15.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.633 ' O ' HG12 ' A' ' 86' ' ' VAL . 93.6 t -95.49 46.65 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 137.78 58.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.61 141.34 51.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.03 171.36 30.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.415 1.072 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.98 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.92 96.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 p -168.57 -56.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.581 1.176 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.974 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 m -104.73 -53.83 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.37 -67.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.95 146.84 9.5 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.12 76.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.39 0.7 . . . . 0.0 110.045 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.45 83.11 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.71 -145.85 4.97 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' ' 26' ' ' GLY . 8.1 m -136.05 174.92 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m -123.85 115.2 20.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.483 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 71' ' ' LEU . 5.5 mt -96.45 134.18 39.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.769 HD13 ' CD ' ' A' ' 23' ' ' GLU . 10.7 tp -98.5 107.9 20.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 39' ' ' LEU . 7.4 t -78.4 108.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' HG13 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.1 143.88 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 18' ' ' ARG . 8.2 t -113.44 94.01 29.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.12 2.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER 179.9 71.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' ASN . 3.2 mt-30 38.55 61.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -128.36 -47.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 70.81 -62.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.565 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -39.17 149.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.746 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.5 178.58 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD21 HG23 ' A' ' 42' ' ' VAL . 12.9 tp -147.55 108.73 4.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' CD ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -94.26 114.5 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.64 172.97 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.478 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 11.2 t -71.07 147.05 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.21 49.37 0.82 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 22.7 t0 -38.52 136.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HB3' ' CB ' ' A' ' 68' ' ' ARG . 45.4 mtt-85 -62.41 -13.21 27.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.07 -27.09 19.87 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.35 168.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -127.23 133.38 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' CG2' HD11 ' A' ' 70' ' ' LEU . 38.7 t -38.47 -63.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.74 -38.85 45.67 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.559 1.162 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.9 t-160 -68.17 -57.59 5.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 54' ' ' LEU . 13.1 tp -39.17 -61.03 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' LEU . 62.3 mttt -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.49 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.1 t60 -61.42 -42.09 98.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.394 1.059 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 82' ' ' LEU . 3.9 mt -61.6 -61.36 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 109.206 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.47 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 16.6 p -38.45 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.052 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.83 -70.38 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 22' ' ' LEU . 27.2 m -51.73 -22.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.54 125.06 74.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.72 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.82 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 10.0 mmt180 64.63 59.75 1.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.03 158.59 42.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.567 1.825 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -74.2 147.93 85.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -29.57 7.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -0.35 44.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -111.23 -45.27 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -47.21 115.59 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -94.32 109.23 21.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.1 mp -93.05 113.31 25.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.08 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' HIS . 3.3 mp -119.68 116.85 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.2 t80 -89.4 -8.25 53.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.64 87.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.28 22.79 1.03 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -148.45 106.35 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -66.07 150.34 48.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 70' ' ' LEU . 12.6 mt -89.18 166.14 14.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.678 HD13 ' CE1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -114.95 167.51 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -80.26 -30.32 38.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.678 ' CE1' HD13 ' A' ' 62' ' ' LEU . 31.7 p-80 -87.04 46.21 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.654 ' OE1' HD21 ' A' ' 70' ' ' LEU . 54.4 mt-30 -144.03 155.22 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 t -116.68 143.72 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.31 -48.87 62.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -43.66 -46.54 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -53.36 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 61' ' ' LEU . 92.3 mt -47.67 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.717 HD11 HD21 ' A' ' 10' ' ' LEU . 14.1 mt -73.54 154.31 89.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.97 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -155.59 123.45 5.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -173.13 67.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 168.25 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.08 170.11 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.56 1.162 . . . . 0.0 110.228 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.9 m-70 -113.79 142.8 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.498 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG13 ' HE3' ' A' ' 13' ' ' LYS . 72.8 t -110.85 117.63 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.607 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.3 173.63 6.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 m-70 -139.57 98.73 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.984 HD13 ' CD1' ' A' ' 54' ' ' LEU . 54.6 tp -88.98 102.28 14.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -93.34 136.33 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.05 140.7 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -109.1 -155.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.01 90.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -53.11 178.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.07 86.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -123.82 161.82 18.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 125.32 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 75.08 -57.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -152.97 124.55 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m -149.23 104.64 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.32 66.19 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -153.91 136.93 15.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 m -98.64 86.16 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.61 -174.7 23.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 27' ' ' ASP . 5.7 m -122.37 174.08 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.371 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.826 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.5 m -128.36 107.91 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD21 HD11 ' A' ' 71' ' ' LEU . 17.7 mt -95.33 131.15 41.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE3' ' A' ' 13' ' ' LYS . 17.1 tp -102.35 98.27 8.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.883 HG21 HD21 ' A' ' 39' ' ' LEU . 32.6 t -72.35 98.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 109.242 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -96.05 164.9 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -126.2 118.0 23.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.64 -56.96 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -51.07 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 38.75 78.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 -70.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.655 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -135.44 145.15 46.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' CB ' HD11 ' A' ' 11' ' ' LEU . 23.1 m-20 -93.3 164.33 13.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD22 ' CD1' ' A' ' 43' ' ' TYR . 11.4 tp -133.44 111.38 10.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.826 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER -97.22 123.99 41.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' CD2' ' A' ' 38' ' ' HIS . 1.5 pt? -142.52 161.26 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.457 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.6 t -57.52 155.36 9.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.549 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -120.66 -57.37 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 8' ' ' VAL . 52.1 t0 64.73 123.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -69.63 -10.99 60.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.69 1.35 65.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 26' ' ' GLY . 9.8 m0 -78.08 -172.8 2.89 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -143.25 125.78 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 63' ' ' ASP . 77.4 t -39.94 -45.33 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.383 1.052 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.76 -43.7 97.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 15.5 t60 -69.13 -54.13 16.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.793 . . . . 0.0 109.509 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.8 tp -40.15 -52.85 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HE3' HG12 ' A' ' 32' ' ' VAL . 52.0 mttt -38.81 -61.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -61.32 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CD2' HD12 ' A' ' 24' ' ' LEU . 6.9 t60 -40.49 -41.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.02 HD13 HD22 ' A' ' 82' ' ' LEU . 1.8 mt -63.52 -59.15 5.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.471 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -39.64 -29.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.85 -70.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG23 HD21 ' A' ' 22' ' ' LEU . 31.1 m -50.62 -24.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -81.91 123.76 79.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.92 96.07 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 160.73 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 58.14 65.4 3.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.289 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -167.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.53 139.06 20.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -36.62 2.39 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -14.3 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 52' ' ' GLN . 7.1 m-20 -108.06 -41.78 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.65 ' CB ' HD11 ' A' ' 82' ' ' LEU . 36.8 mt-30 -38.0 109.24 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HD2' HD11 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -93.82 110.1 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.51 119.99 32.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.559 HD11 ' HD2' ' A' ' 53' ' ' ARG . 3.6 mp -125.33 117.94 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 17.0 t80 -102.87 95.68 6.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.84 20.69 10.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.72 -21.37 23.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 111.09 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? -69.13 139.18 54.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.776 ' H ' HD22 ' A' ' 60' ' ' LEU . 10.5 mt -97.5 152.12 19.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 5.6 mt -85.11 -75.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 32' ' ' VAL . 0.9 OUTLIER 161.02 -58.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -66.51 -13.45 60.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -58.92 -179.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.254 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 148.74 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 108.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' LEU . 12.9 mt -69.05 -40.42 78.55 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -39.36 -65.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 6.9 m-20 -57.46 -61.03 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 61' ' ' LEU . 16.3 mt -39.85 -71.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 ' CD2' ' A' ' 78' ' ' HIS . 16.6 mt -61.73 146.39 90.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -75.03 -167.91 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.8 139.45 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.99 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -173.21 118.09 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.32 173.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -83.84 177.87 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.703 ' CD2' HD13 ' A' ' 71' ' ' LEU . 16.3 m-70 -123.2 143.88 49.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.589 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.9 t -111.64 114.77 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -108.97 171.92 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -139.16 100.83 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.613 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.02 HD22 HD13 ' A' ' 39' ' ' LEU . 54.0 tp -91.17 105.04 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.8 t -85.2 123.77 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' HG13 ' A' ' 86' ' ' VAL . 21.6 t -87.62 132.62 34.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.368 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 1.6 p30 -48.91 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 84' ' ' CYS . 34.1 m -72.93 64.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -124.5 -176.96 3.66 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.34 -145.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 135.74 19.36 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.463 1.77 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -170.98 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.4 t -164.38 -57.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 59.54 99.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.59 159.01 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.18 -143.84 7.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -143.91 -59.69 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -141.99 -56.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.65 177.85 5.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 26' ' ' GLY . 15.8 m -112.24 172.12 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.651 HG22 ' HG2' ' A' ' 23' ' ' GLU . 29.8 m -113.08 124.12 51.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 71' ' ' LEU . 22.5 mt -110.99 123.32 49.95 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD23 ' HE3' ' A' ' 13' ' ' LYS . 39.1 tp -96.31 108.31 20.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 HD21 ' A' ' 39' ' ' LEU . 7.3 t -76.88 97.41 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.594 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.63 164.38 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 1.3 m -119.71 113.0 34.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.21 5.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -140.41 -49.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -178.95 -61.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 9.1 mtp180 -175.05 57.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.443 1.09 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -58.97 -77.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.41 169.41 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -126.65 120.38 29.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 tp -124.5 121.12 33.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HG2' HG22 ' A' ' 9' ' ' THR . 1.0 OUTLIER -113.49 100.79 8.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -112.51 174.91 5.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 6.0 t -71.71 149.24 45.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.14 50.52 0.83 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 24.6 t0 -38.52 133.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 mtt85 -61.6 -13.31 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.44 -23.65 30.85 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.3 m0 -51.94 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -139.9 128.41 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 HD11 ' A' ' 70' ' ' LEU . 89.1 t -39.57 -50.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -59.81 -41.68 97.74 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t-160 -69.84 -56.15 7.87 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.591 0.818 . . . . 0.0 109.58 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD11 HD11 ' A' ' 24' ' ' LEU . 18.6 tp -39.91 -52.71 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HG3' HD22 ' A' ' 54' ' ' LEU . 55.1 mttt -38.67 -64.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.61 -55.59 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.5 t60 -47.78 -40.18 20.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.126 HD13 HD22 ' A' ' 82' ' ' LEU . 2.7 mt -60.86 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.462 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.6 t -38.54 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -52.17 -22.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.39 123.66 74.61 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 97.68 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER 161.03 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 59.65 62.5 3.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.618 1.199 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.96 -163.54 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.407 1.74 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.4 143.82 31.17 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -23.92 13.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.357 1.714 . . . . 0.0 111.011 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -12.45 60.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -108.57 -33.2 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.618 ' CB ' HD11 ' A' ' 82' ' ' LEU . 45.3 mt-30 -51.64 110.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.6 mtt180 -93.27 105.27 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.949 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.8 mp -92.71 125.54 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG13 HD12 ' A' ' 60' ' ' LEU . 4.4 mt -134.22 138.45 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.888 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.1 t80 -132.72 110.12 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 t 77.88 6.47 2.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.96 -33.54 5.41 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 122.65 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -67.85 138.44 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 56' ' ' TYR . 18.2 mt -83.91 163.38 20.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD13 ' HE1' ' A' ' 64' ' ' HIS . 98.1 mt -94.2 -107.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -164.7 -44.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' HE1' HD13 ' A' ' 62' ' ' LEU . 51.8 p-80 -77.71 -29.69 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.607 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.6 mm100 -50.91 136.25 23.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.54 147.05 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 10' ' ' LEU . 32.1 mt -59.96 -38.11 81.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -39.93 -61.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.3 t70 -63.48 -58.8 5.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.6 HD13 HD22 ' A' ' 61' ' ' LEU . 14.9 mt -39.81 -67.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.873 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.0 mt -71.36 153.22 94.09 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.04 -164.98 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -34.12 74.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.74 -72.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.32 56.08 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 51.08 179.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.385 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.43 169.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.728 ' CD2' HD13 ' A' ' 71' ' ' LEU . 5.8 m-70 -118.96 151.19 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.472 HG22 ' HB3' ' A' ' 11' ' ' LEU . 55.6 t -113.44 115.47 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -104.84 173.43 6.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -138.53 96.95 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.126 HD22 HD13 ' A' ' 39' ' ' LEU . 47.1 tp -89.46 97.59 11.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -87.75 139.51 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.9 141.36 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' HG12 ' A' ' 86' ' ' VAL . 25.3 t30 -87.32 11.06 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.594 1.183 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER 69.21 144.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -128.94 136.29 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -179.13 -58.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.69 127.15 5.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.87 3.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -103.02 106.42 16.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 p -40.93 110.18 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.492 1.12 . . . . 0.0 109.952 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.593 1.183 . . . . 0.0 111.023 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 64.1 82.33 0.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.42 91.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.6 -114.1 0.54 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 61.13 79.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 110.05 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -144.75 80.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.938 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.7 -147.27 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 26' ' ' GLY . 5.0 m -126.48 166.75 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -112.77 116.16 29.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 71' ' ' LEU . 46.6 mt -96.13 135.03 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -102.23 101.25 11.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.78 95.75 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 161.37 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.15 108.62 59.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 110.043 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' VAL . 18.2 Cg_endo -75.07 75.81 3.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -154.03 -46.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ARG . 1.3 mm-40 -179.34 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' GLN . 3.3 mtt85 38.57 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.61 120.59 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.622 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 54.46 168.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -154.57 155.78 35.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 42' ' ' VAL . 9.4 tp -137.54 113.72 10.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.344 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.51 108.84 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.237 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -123.98 166.07 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.537 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -66.9 156.47 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.786 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.92 48.48 0.63 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 21.4 t0 -39.87 133.69 1.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -56.32 -16.52 5.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -85.62 -29.92 25.54 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.537 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 11.6 m0 -44.8 165.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.3 m -125.21 134.08 52.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.54 HG11 ' O ' ' A' ' 62' ' ' LEU . 55.8 t -39.3 -55.58 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.068 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.12 92.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.435 1.084 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.6 t60 -68.23 -56.67 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.9 tp -39.35 -58.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.6 mttt -37.82 -63.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.36 -59.33 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' HD12 ' A' ' 24' ' ' LEU . 8.3 t60 -46.8 -45.73 20.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD13 HD22 ' A' ' 82' ' ' LEU . 2.9 mt -60.15 -60.02 4.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t -37.98 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.33 -68.87 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 22' ' ' LEU . 27.1 m -54.71 -20.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -83.3 125.38 74.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 97.17 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 161.53 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.287 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.9 mmm180 66.63 60.99 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -74.95 170.42 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.37 147.33 44.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.63 12.77 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 32.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ARG . 6.3 m-20 -150.49 -48.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.211 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.591 ' CB ' HD11 ' A' ' 82' ' ' LEU . 9.8 mt-30 -42.03 95.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.5 mtt180 -71.54 117.81 13.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.823 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.15 112.32 24.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 53' ' ' ARG . 4.2 mp -117.55 108.05 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.548 ' HB3' HD21 ' A' ' 61' ' ' LEU . 6.1 t80 -78.47 -19.51 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 168.24 92.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.85 23.37 0.57 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 57' ' ' SER . 1.9 mttp -150.56 107.39 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -64.72 148.85 50.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 70' ' ' LEU . 15.7 mt -92.06 164.58 13.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.736 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 79.8 mt -114.3 169.1 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.75 -38.7 38.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 26.1 p-80 -80.79 53.34 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.736 ' NE2' ' H ' ' A' ' 62' ' ' LEU . 5.0 mt-30 -140.84 176.96 8.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.23 143.75 44.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 27' ' ' ASP . 8.3 mt -60.5 -40.24 90.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.5 ttt180 -44.56 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.1 m-20 -56.72 -55.77 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.662 HD13 HD13 ' A' ' 61' ' ' LEU . 12.4 mt -40.07 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD13 ' CD2' ' A' ' 78' ' ' HIS . 23.2 mt -64.9 144.69 99.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.98 -178.71 4.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.13 173.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.67 138.95 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.29 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.82 -61.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.61 164.62 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -60.47 164.27 4.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.81 ' CD2' HD13 ' A' ' 71' ' ' LEU . 14.5 m-70 -108.18 152.5 24.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.3 t -121.11 108.49 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.613 1.196 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -98.99 173.39 6.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' ILE . 36.7 m-70 -138.82 98.86 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.08 HD22 HD13 ' A' ' 39' ' ' LEU . 34.0 tp -88.97 114.39 25.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG22 ' HG2' ' A' ' 15' ' ' PRO . 43.8 t -98.78 133.53 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.3 t -79.73 146.02 32.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -166.5 143.11 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.27 121.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -88.46 107.1 18.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.14 141.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.56 -178.27 27.18 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 142.08 27.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.417 1.746 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -83.73 138.84 33.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.75 164.29 37.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.1 -56.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -80.73 118.68 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -112.64 0.25 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.14 97.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 0.801 . . . . 0.0 109.961 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 m -131.44 101.43 5.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.74 32.65 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.896 HG21 ' CD1' ' A' ' 71' ' ' LEU . 23.6 m -100.44 165.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 0.742 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.712 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.1 m -101.72 114.16 27.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 71' ' ' LEU . 35.4 mt -102.67 116.02 31.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 23' ' ' GLU . 26.6 mt -92.2 103.03 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 39' ' ' LEU . 15.7 t -77.76 113.15 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE3' HG13 ' A' ' 79' ' ' VAL . 2.4 mttm -114.2 125.08 53.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.67 105.2 49.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.72 4.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.01 29.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 41.92 81.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -116.99 -52.2 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.8 169.59 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 156.14 25.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -48.19 129.5 15.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD21 HG23 ' A' ' 42' ' ' VAL . 11.0 tp -105.96 109.17 21.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -95.7 119.13 33.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -133.72 167.68 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.594 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.2 t -69.43 144.85 53.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.954 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.798 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.11 48.15 0.88 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' GLY . 30.1 t70 -37.81 136.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 17.0 mtt-85 -60.55 -13.02 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.404 1.065 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.44 -22.37 40.8 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' O ' ' A' ' 25' ' ' SER . 9.3 m0 -54.93 177.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER -133.52 131.46 39.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.049 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 70' ' ' LEU . 55.5 t -39.19 -54.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -58.51 -43.42 95.98 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' SER . 16.0 t-80 -64.79 -55.32 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 109.622 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' HG ' HD21 ' A' ' 54' ' ' LEU . 9.5 tp -40.55 -57.3 1.87 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.849 ' HG3' HD22 ' A' ' 54' ' ' LEU . 84.1 mttt -38.52 -65.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.49 -58.4 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 9.7 t60 -46.14 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.928 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -53.67 -59.62 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.48 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -38.24 -35.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -71.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.357 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 39' ' ' LEU . 34.2 m -49.75 -34.58 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.72 125.55 91.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.5 Cg_endo -74.91 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.5 OUTLIER 163.06 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' ARG . 1.7 mmm180 67.68 62.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -113.93 151.88 45.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 -23.49 13.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -21.42 28.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -93.5 -36.2 12.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.632 ' CB ' HD11 ' A' ' 82' ' ' LEU . 20.3 mt-30 -58.31 103.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.889 ' HD3' HD11 ' A' ' 60' ' ' LEU . 26.5 mtt180 -85.66 110.41 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.926 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -93.11 115.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.83 121.25 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 14.7 t80 -108.52 103.84 13.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t 68.35 16.03 9.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.02 -4.29 38.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.67 118.0 36.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.889 HD11 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -68.94 154.75 41.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 60' ' ' LEU . 14.8 mt -106.52 157.15 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD12 ' CD ' ' A' ' 65' ' ' GLN . 10.6 mt -85.14 -78.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER 160.28 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' HE1' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -92.21 33.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.564 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.706 ' CD ' HD12 ' A' ' 62' ' ' LEU . 6.0 mt-30 -116.78 151.79 35.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.42 147.19 23.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 27' ' ' ASP . 87.8 mt -68.61 -31.25 70.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -51.08 -41.72 60.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -56.41 4.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD1' HD13 ' A' ' 61' ' ' LEU . 23.4 mt -49.27 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.896 ' CD1' HG21 ' A' ' 8' ' ' VAL . 4.9 mt -53.78 154.78 6.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.02 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.22 60.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -149.02 170.76 17.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -83.99 94.66 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -174.42 148.3 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' CD ' ' HB ' ' A' ' 9' ' ' THR . 18.9 mmt180 -71.45 171.37 11.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.701 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.7 m-70 -123.88 152.8 41.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 13' ' ' LYS . 98.4 t -126.23 113.42 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 163.57 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 69.8 m-70 -128.22 99.65 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.655 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.928 HD22 HD13 ' A' ' 39' ' ' LEU . 54.3 tp -89.15 101.5 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.191 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -92.59 124.66 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.6 t -83.61 130.65 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.64 113.37 10.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.8 p -146.78 125.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 140.97 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -167.34 82.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.21 171.0 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.0 5.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -58.31 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.45 1.094 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -141.23 123.21 15.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.01 124.95 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.07 159.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -175.57 0.6 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -72.88 109.05 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.035 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -101.35 75.6 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.38 175.88 27.46 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.7 m -122.43 166.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.804 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.9 m -103.33 124.92 49.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 71' ' ' LEU . 44.1 mt -111.64 111.3 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD23 ' HE3' ' A' ' 13' ' ' LYS . 14.6 tp -85.9 100.54 12.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 HD21 ' A' ' 39' ' ' LEU . 39.1 t -75.83 110.35 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -105.32 161.18 14.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -124.06 102.84 33.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 59.83 5.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.2 t30 174.2 -65.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 43.3 tt0 -55.63 -44.74 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 17' ' ' GLN . 1.9 mtp180 38.18 74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 17' ' ' GLN . 2.2 p80 -132.01 -60.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.543 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' A' ' 19' ' ' HIS . 2.0 mtt180 -139.64 163.55 32.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.93 128.62 56.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 42' ' ' VAL . 7.2 tp -103.76 118.08 35.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.804 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.0 tm-20 -111.72 128.16 56.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.343 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -141.05 170.37 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t -66.0 157.33 31.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.017 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.97 51.19 0.65 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 67' ' ' LEU . 21.5 t0 -39.48 129.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtt85 -58.55 -15.57 11.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -29.35 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 7.1 m0 -48.49 170.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.5 m -129.65 139.58 51.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.397 1.06 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG12 ' HE3' ' A' ' 36' ' ' LYS . 89.7 t -49.81 -32.61 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.76 -25.03 61.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 111.074 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 t-80 -87.43 -47.87 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.574 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.9 tp -45.49 -56.94 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HE3' HG12 ' A' ' 32' ' ' VAL . 65.0 mttt -39.49 -67.6 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.63 -44.24 96.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -60.81 -60.76 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.472 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 24.2 p -38.9 -29.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.072 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.91 -67.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 22' ' ' LEU . 30.9 m -54.06 -21.6 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' HD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -84.95 125.98 69.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.97 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 158.77 -25.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.1 mpt_? 61.08 59.6 3.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 147.76 34.32 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 148.34 94.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 39.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -154.42 -45.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 82' ' ' LEU . 11.1 mt-30 -43.42 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 116.32 17.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.94 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.7 mp -99.5 115.39 29.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' HIS . 2.2 mp -117.25 119.98 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 8.9 t80 -105.18 100.77 10.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 21.91 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.23 -13.35 48.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.425 1.078 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 61' ' ' LEU . 1.6 tm? -67.3 139.29 57.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 70' ' ' LEU . 9.6 mt -97.2 151.29 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -83.68 -86.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 178.53 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.391 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -63.58 -32.84 74.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -47.53 145.98 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.94 147.7 27.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 10' ' ' LEU . 22.0 mt -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.63 -64.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' LEU . 1.5 m-20 -61.56 -57.58 11.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 61' ' ' LEU . 15.0 mt -40.11 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 10' ' ' LEU . 13.7 mt -60.43 152.15 66.21 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 64.63 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' LYS . 2.8 tt0 68.51 -73.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 59.94 -85.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' GLN . 11.7 pttt -159.21 175.83 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -41.47 132.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.7 m-70 -94.55 145.58 24.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.9 t -115.21 113.71 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -107.48 164.02 12.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.369 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' ILE . 27.2 m-70 -130.7 96.83 4.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 39' ' ' LEU . 40.6 tp -89.2 103.58 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.075 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -85.97 141.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 26.3 t -88.77 136.01 33.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -69.95 91.33 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 86' ' ' VAL . 21.6 m -70.52 67.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.21 101.15 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.4 79.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.43 154.07 34.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.07 32.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 m -47.72 -52.22 19.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t 56.57 164.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.32 150.68 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.13 107.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.13 -153.7 7.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.83 132.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.047 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.04 -68.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.88 -142.09 16.93 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.8 m -119.09 172.01 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.791 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.1 m -116.26 116.96 28.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.152 . . . . 0.0 110.46 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 mt -99.86 119.74 38.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.9 mt -95.17 98.8 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.769 HG21 HD21 ' A' ' 39' ' ' LEU . 24.2 t -77.36 104.98 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -95.12 165.19 12.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' A' ' 18' ' ' ARG . 2.9 m -130.04 104.39 16.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 55.64 4.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.1 m120 -171.59 33.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' ASN . 8.2 tt0 36.37 63.58 0.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.15 . . . . 0.0 110.316 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -75.98 -70.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 1.8 m170 174.19 108.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 45.44 -170.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -112.97 160.17 18.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.899 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -120.2 110.58 16.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.791 ' CG ' HG23 ' A' ' 9' ' ' THR . 4.7 tm-20 -104.15 125.53 50.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -142.29 172.92 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 t -61.79 157.86 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . . . -123.02 -54.3 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.542 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 37.1 t0 61.87 125.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -75.04 -14.15 60.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.55 11.03 61.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.542 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 1.2 m0 -84.17 -168.99 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -146.09 130.37 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.512 HG21 HD11 ' A' ' 70' ' ' LEU . 63.7 t -40.43 -62.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.97 -39.24 32.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -68.76 -52.51 29.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 0.805 . . . . 0.0 109.609 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' LYS . 7.1 tp -43.16 -60.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CE ' ' O ' ' A' ' 52' ' ' GLN . 90.4 mttt -35.93 -62.63 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -57.62 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -51.11 -44.41 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.605 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.104 HD13 HD22 ' A' ' 82' ' ' LEU . 2.2 mt -58.1 -59.14 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.427 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 2.3 t -38.26 -30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -71.58 -53.77 12.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.899 HG23 HD21 ' A' ' 22' ' ' LEU . 11.8 m -72.39 -16.83 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.48 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -87.26 125.43 65.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.02 97.67 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 160.75 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 2.9 mpt_? 59.77 62.02 3.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.07 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -112.66 152.13 44.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.2 7.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.82 23.1 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD2' ' ND2' ' A' ' 85' ' ' ASN . 37.1 m-20 -131.06 -49.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HB3' HD11 ' A' ' 82' ' ' LEU . 32.4 mt-30 -40.41 116.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -91.31 107.86 19.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.855 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -92.23 129.67 38.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.4 mp -135.64 127.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' O ' ' CD2' ' A' ' 56' ' ' TYR . 40.3 t80 -121.48 97.05 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 1.9 t 79.99 8.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' C ' HG23 ' A' ' 55' ' ' ILE . . . 117.85 -31.57 5.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.055 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -76.26 125.09 28.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 ' HD3' ' A' ' 53' ' ' ARG . 1.5 tp -74.6 148.84 40.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 9.9 mt -95.28 156.6 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.4 mt -88.8 -110.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -164.57 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -73.94 -7.38 52.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -73.96 141.95 45.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -95.37 160.91 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 26' ' ' GLY . 8.4 mt -78.04 -33.6 50.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' CG ' ' HB3' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -54.59 -31.83 57.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.31 -58.01 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 32' ' ' VAL . 18.5 mt -46.06 -66.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 78' ' ' HIS . 19.9 mt -63.73 135.7 96.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.08 -167.86 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -43.85 -49.54 8.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLU . 10.3 pt20 -178.82 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER 38.21 65.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.53 -179.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.611 1.194 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -44.82 154.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.087 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 71' ' ' LEU . 72.5 m-70 -95.32 119.21 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.556 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.52 113.5 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.19 168.11 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 13' ' ' LYS . 24.5 m-70 -132.15 98.97 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 39' ' ' LEU . 53.1 tp -93.56 117.26 29.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.62 130.51 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -77.28 136.1 38.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 108.306 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 51' ' ' ASP . 9.0 p-10 -81.11 -152.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.745 HG23 ' N ' ' A' ' 87' ' ' LYS . 2.4 m -82.61 -151.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.745 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -122.98 57.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.81 94.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.47 157.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.36 26.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 93.9 p -157.85 119.66 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 m 73.55 -67.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m -110.34 156.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.45 97.79 3.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.25 -120.17 1.89 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 49.22 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.52 103.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.23 175.22 29.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.3 m -107.88 153.55 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 77' ' ' ARG . 3.3 m -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD21 HG23 ' A' ' 8' ' ' VAL . 27.2 mt -109.48 119.01 38.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' A' ' 23' ' ' GLU . 2.0 mt -89.75 101.06 13.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 39' ' ' LEU . 10.2 t -78.46 102.22 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 1.1 mttt -92.43 165.3 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.3 m -130.29 95.75 26.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.8 4.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 179.13 -61.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ARG . 6.9 pt20 -89.25 -28.24 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.3 mtm180 38.58 61.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' ARG . 9.7 m80 -135.86 115.38 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER 59.89 148.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.333 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -112.45 152.76 28.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD21 HG23 ' A' ' 42' ' ' VAL . 10.0 tp -121.3 109.35 14.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -102.92 114.1 28.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -124.74 171.29 10.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 t -71.08 151.03 44.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.789 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -139.84 51.07 0.75 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.426 1.079 . . . . 0.0 111.01 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 33.4 t70 -39.55 131.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -58.64 -14.84 9.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.232 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.89 17.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 8.6 m0 -46.24 168.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.5 m -128.96 136.63 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.067 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 62' ' ' LEU . 54.9 t -40.13 -64.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.06 -43.08 17.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.1 t60 -66.92 -60.15 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.6 tp -39.95 -60.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' HG3' HD22 ' A' ' 54' ' ' LEU . 89.0 mttt -38.3 -66.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.49 -53.44 14.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CD2' HD12 ' A' ' 24' ' ' LEU . 12.7 t60 -48.53 -45.66 37.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.056 HD13 HD22 ' A' ' 82' ' ' LEU . 3.0 mt -58.32 -61.53 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 2.6 t -38.31 -30.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.12 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -72.22 -50.81 24.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 39' ' ' LEU . 15.4 m -77.71 -10.13 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -94.73 125.48 51.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.95 99.39 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.13 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.8 mpt_? 58.53 62.12 4.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.01 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' OE1' ' A' ' 52' ' ' GLN . 19.9 mtt-85 -117.11 145.85 36.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.74 9.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -25.74 59.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 52' ' ' GLN . 41.5 m-20 -92.31 -51.6 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.755 ' HB3' HD11 ' A' ' 82' ' ' LEU . 9.2 mt-30 -38.76 107.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.787 ' HD3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -89.25 115.92 27.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.951 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -94.29 127.32 40.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.515 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.0 mp -132.13 137.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.707 ' HB3' HD21 ' A' ' 61' ' ' LEU . 13.4 t80 -126.77 92.9 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t 73.42 28.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.62 -32.57 7.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 115.96 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD13 ' HD3' ' A' ' 53' ' ' ARG . 4.5 tp -69.77 148.93 48.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.388 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 56' ' ' TYR . 11.1 mt -100.6 160.47 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -122.24 171.07 9.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -80.19 -34.05 37.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 62' ' ' LEU . 23.6 p-80 -84.78 48.78 1.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.635 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD21 ' A' ' 70' ' ' LEU . 42.2 mt-30 -147.84 156.93 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.76 149.26 41.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.12 -51.41 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.228 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' N ' ' A' ' 69' ' ' ASP . 26.7 ptt180 -40.33 -43.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.253 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.516 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 2.3 t70 -77.68 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 61' ' ' LEU . 12.4 mt -43.21 -60.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 8' ' ' VAL . 10.5 mt -75.08 141.56 74.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.491 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -74.98 -171.32 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.78 13.61 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -122.06 -177.76 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.251 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 61.06 150.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -66.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 4.1 mtm180 -89.92 161.34 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 77.5 m-70 -128.84 136.6 50.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.557 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 3.3 t -108.01 112.41 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.41 163.7 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.75 97.53 4.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.571 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.056 HD22 HD13 ' A' ' 39' ' ' LEU . 35.2 tp -91.2 104.0 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.58 134.02 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.88 137.11 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.0 t30 -137.19 28.65 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -39.47 97.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -117.81 137.63 52.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.0 109.245 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.61 130.84 42.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.387 1.055 . . . . 0.0 109.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.84 -146.28 4.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.423 1.077 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.23 5.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -178.38 -57.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m 65.91 147.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.441 1.088 . . . . 0.0 110.959 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -40.33 156.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -164.18 112.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.44 -118.46 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -111.58 121.78 46.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.82 78.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.45 -156.4 16.42 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 26' ' ' GLY . 16.9 m -117.36 169.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.809 HG23 ' CG ' ' A' ' 23' ' ' GLU . 5.5 m -107.13 120.57 42.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 67' ' ' LEU . 52.8 mt -109.77 114.7 28.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 21' ' ' ASP . 6.2 tp -91.46 102.39 15.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG21 HD21 ' A' ' 39' ' ' LEU . 23.9 t -76.02 95.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HD2' ' CG1' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -91.38 164.32 13.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 m -120.46 119.31 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -10.08 21.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -125.81 -79.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.97 75.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -69.98 58.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -109.47 96.99 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.58 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 57.99 171.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.244 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.632 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -121.55 165.3 15.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 tp -133.91 119.65 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.234 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.809 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -112.95 128.87 56.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.3 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -71.45 150.04 45.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.751 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -136.21 52.8 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLY . 26.0 t70 -38.92 128.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -57.32 -16.0 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -86.59 -29.41 24.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CZ3' HD13 ' A' ' 35' ' ' LEU . 9.1 m0 -49.39 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.6 m -133.68 132.95 41.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 70' ' ' LEU . 58.4 t -39.4 -44.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' N ' ' HA ' ' A' ' 63' ' ' ASP . . . -68.24 -43.34 80.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' SER . 3.3 t60 -65.63 -53.0 47.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 24' ' ' LEU . 14.7 tp -40.14 -56.29 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 49.3 mttt -38.53 -65.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -40.19 -52.43 2.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -60.89 -44.13 97.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD21 HG21 ' A' ' 12' ' ' VAL . 2.7 mt -59.8 -62.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.479 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 80.5 p -38.41 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.35 -70.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 39' ' ' LEU . 31.5 m -49.53 -23.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -85.06 125.93 69.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 99.47 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 159.54 -27.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 8.6 mmm180 64.25 58.49 1.65 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.2 Cg_endo -75.08 130.22 13.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -50.13 148.6 5.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.15 13.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.44 30.15 1.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.74 -46.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.1 mt-30 -44.33 126.4 5.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.268 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.29 108.24 19.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.986 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.4 mp -92.71 119.62 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.48 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.7 mp -121.65 135.92 60.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.6 t80 -134.99 127.32 30.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.63 13.74 5.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.95 -3.23 60.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 139.2 36.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.744 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? -83.13 137.05 34.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.2 mt -92.64 160.48 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 64' ' ' HIS . 96.0 mt -88.15 -102.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HA ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -171.58 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.406 1.066 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.476 ' CE1' HD13 ' A' ' 62' ' ' LEU . 3.9 p80 -75.59 -20.39 58.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.45 148.55 41.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.46 148.04 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 22.4 mt -57.93 -46.17 85.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.401 1.063 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 8.5 ttt180 -38.01 -66.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.4 m-20 -51.46 -65.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.232 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD13 HD22 ' A' ' 61' ' ' LEU . 12.9 mt -40.24 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 8' ' ' VAL . 7.0 mt -43.12 157.95 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.475 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.2 60.42 6.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 56.56 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 179.99 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -174.66 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.466 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -156.58 -171.23 3.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.1 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 71' ' ' LEU . 1.5 m-70 -148.47 147.34 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 13' ' ' LYS . 62.4 t -111.84 116.71 53.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -109.0 170.86 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -136.6 97.05 3.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 54' ' ' LEU . 55.6 tp -88.8 105.97 18.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.76 139.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 t -85.36 137.63 32.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 108.337 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.96 -155.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -150.91 127.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -179.99 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.29 -45.22 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.13 127.76 39.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 145.79 44.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.0 m -136.02 -58.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.541 1.151 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.02 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.2 159.02 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.4 96.11 3.52 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.36 -62.28 0.02 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.51 79.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 0.737 . . . . 0.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.4 88.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -156.78 23.25 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG21 ' CD1' ' A' ' 71' ' ' LEU . 7.1 m -111.54 167.97 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 7.9 m -104.63 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 8' ' ' VAL . 17.6 mt -98.19 121.06 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -94.31 101.46 13.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -77.51 94.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.94 164.99 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' CB ' ' HB2' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -115.78 112.23 42.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.8 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -133.86 -53.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -173.34 -56.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 3.7 mtp180 -179.13 57.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -59.4 -69.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.94 161.09 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.244 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.63 134.06 51.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tp -131.54 113.06 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.646 ' OE1' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -100.62 122.41 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -140.56 160.12 40.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.75 155.36 23.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.647 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -147.2 49.55 0.62 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 18.9 t70 -39.83 125.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.238 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -47.87 -22.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 27' ' ' ASP . . . -76.82 -33.1 47.56 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' HB2' HD12 ' A' ' 67' ' ' LEU . 11.9 m0 -46.1 168.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -128.61 131.47 48.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 94.3 t -37.89 -63.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.29 -38.47 33.57 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' SER . 6.9 t-160 -70.05 -58.13 4.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 109.625 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' HIS . 6.8 tp -38.98 -54.32 1.68 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 80.8 mttt -38.87 -67.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.07 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.18 -52.84 5.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.431 ' CD2' HD12 ' A' ' 24' ' ' LEU . 11.0 t60 -55.43 -50.46 69.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.062 HD13 HD22 ' A' ' 82' ' ' LEU . 1.2 mt -52.87 -59.73 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.579 1.174 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.448 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 3.9 t -37.87 -37.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -70.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 39' ' ' LEU . 33.5 m -50.87 -23.83 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.8 122.69 72.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.1 Cg_endo -75.09 99.45 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.3 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 65.1 59.46 1.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.5 Cg_endo -74.95 131.39 14.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.446 1.761 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -50.01 146.81 7.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.33 15.95 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.447 1.761 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -5.64 59.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HB3' ' CB ' ' A' ' 85' ' ' ASN . 34.9 m-20 -105.04 -42.48 5.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.665 ' OE1' HD21 ' A' ' 82' ' ' LEU . 32.9 mt-30 -47.89 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -111.94 112.4 24.03 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.899 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.8 126.89 38.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.16 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 54' ' ' LEU . 3.9 mp -131.44 129.25 61.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.822 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.2 t80 -124.43 109.63 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t 76.78 4.98 3.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.88 -30.43 7.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 132.86 36.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 0.735 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -72.9 149.95 43.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.822 HD21 ' HB3' ' A' ' 56' ' ' TYR . 16.3 mt -97.3 160.43 14.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.69 HD13 ' CE1' ' A' ' 64' ' ' HIS . 5.7 mt -112.04 150.41 30.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -68.41 -40.73 81.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.69 ' CE1' HD13 ' A' ' 62' ' ' LEU . 7.7 p80 -66.97 -12.89 61.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.551 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HG3' HD12 ' A' ' 62' ' ' LEU . 6.5 mm-40 -87.82 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.17 157.31 16.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.374 1.046 . . . . 0.0 108.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' ' 30' ' ' TRP . 18.9 mt -61.4 -14.61 29.3 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.158 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -73.67 -39.02 64.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -80.37 -25.77 38.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD13 HD22 ' A' ' 61' ' ' LEU . 14.0 mt -90.46 -171.24 3.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.409 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 ' CD1' HG21 ' A' ' 8' ' ' VAL . 20.9 mt 57.92 157.29 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -74.98 170.64 19.98 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -92.15 66.33 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -175.49 146.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.06 . . . . 0.0 110.304 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.61 110.7 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -173.15 139.41 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.3 OUTLIER -44.7 141.27 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.454 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 3.0 m-70 -112.71 147.5 36.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.65 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.7 t -115.81 105.26 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -100.99 166.28 10.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -130.0 97.82 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.062 HD22 HD13 ' A' ' 39' ' ' LEU . 51.9 tp -88.72 99.86 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.371 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.89 131.13 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 143.39 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.422 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 54.5 t30 -92.94 27.08 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.22 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.0 p -150.31 125.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.01 154.08 19.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.37 153.59 46.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.943 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.08 -168.29 14.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.567 1.825 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.3 m -101.18 148.12 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 64.0 m -58.21 163.54 2.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.21 85.37 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.49 157.05 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.87 -74.6 0.35 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.84 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 58.74 86.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.32 177.13 24.82 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.556 1.16 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.0 m -107.12 174.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' HG2' ' A' ' 23' ' ' GLU . 75.2 m -119.83 110.52 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -93.3 118.31 31.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 23' ' ' GLU . 6.8 mt -102.94 103.27 13.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 39' ' ' LEU . 6.7 t -75.63 94.64 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -89.82 153.32 20.76 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -96.98 117.45 65.81 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -36.24 2.72 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.77 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 176.43 81.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.46 -61.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 178.81 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 162.6 28.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -43.78 123.87 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 tp -120.63 115.94 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.622 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -105.14 124.15 49.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD11 ' HG ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -142.27 156.33 45.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -50.99 157.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 8' ' ' VAL . . . -120.82 -70.78 0.3 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 38.7 t0 70.03 107.45 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.342 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -53.17 -19.09 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -78.67 -32.09 42.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.643 ' HB2' HD12 ' A' ' 67' ' ' LEU . 13.2 m0 -47.62 171.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' VAL . 4.3 m -133.34 136.27 45.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.065 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 62' ' ' LEU . 43.3 t -38.27 -55.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.63 -53.84 36.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.424 1.077 . . . . 0.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 5.1 t-160 -58.31 -57.72 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.7 tp -39.38 -60.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' LEU . 86.1 mttt -38.24 -61.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.2 -55.74 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 8.6 t60 -51.12 -44.05 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.556 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.125 HD13 HD22 ' A' ' 82' ' ' LEU . 2.3 mt -59.19 -57.72 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.487 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.4 t -39.15 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.25 -70.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -50.09 -24.48 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.4 125.5 73.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.95 99.1 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.1 OUTLIER 159.06 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 4.1 mpt_? 58.93 61.69 4.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.235 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.0 Cg_endo -75.07 -178.18 4.0 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mtt180 -94.87 151.61 39.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.45 15.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.772 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -42.49 18.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -66.69 -43.84 83.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.637 ' CB ' HD11 ' A' ' 82' ' ' LEU . 35.6 mt-30 -45.31 121.77 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 60' ' ' LEU . 3.7 mtt180 -108.16 110.95 22.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.7 mp -92.24 128.78 38.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.3 mp -135.02 128.63 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.669 ' HB3' HD21 ' A' ' 61' ' ' LEU . 11.7 t80 -126.9 105.02 8.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.4 t 80.75 3.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.25 -30.28 6.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.426 1.079 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.0 129.83 34.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD13 ' HD3' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -72.99 150.39 42.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 70' ' ' LEU . 11.6 mt -96.16 155.03 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.777 ' H ' ' NE2' ' A' ' 65' ' ' GLN . 15.6 mt -112.13 165.13 12.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -77.85 -42.65 32.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.668 ' HE1' HD13 ' A' ' 62' ' ' LEU . 17.5 p-80 -75.64 55.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.639 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.777 ' NE2' ' H ' ' A' ' 62' ' ' LEU . 9.0 mt-30 -147.1 174.67 11.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.604 1.19 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.79 147.81 51.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.373 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 30' ' ' TRP . 11.1 mt -62.14 -33.1 73.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.47 -63.44 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.085 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -53.96 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 61' ' ' LEU . 15.4 mt -40.3 -67.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD13 ' CD2' ' A' ' 78' ' ' HIS . 15.2 mt -71.3 144.28 89.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.06 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -135.48 54.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -175.51 59.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.5 155.24 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -82.94 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -98.7 168.29 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CD2' HD13 ' A' ' 71' ' ' LEU . 80.6 m-70 -123.64 152.24 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 HG11 ' HD2' ' A' ' 13' ' ' LYS . 92.2 t -127.19 106.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -100.85 166.97 10.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -129.36 96.65 4.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.656 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.125 HD22 HD13 ' A' ' 39' ' ' LEU . 44.1 tp -90.33 112.79 24.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.7 t -107.92 138.93 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.3 t -89.07 144.25 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.252 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' VAL . 29.4 t-20 -91.88 16.48 10.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' ASN . 85.2 t 62.11 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.65 157.95 44.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.89 87.1 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.59 1.181 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.19 -165.86 12.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 59.24 5.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m -121.76 99.93 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.045 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.52 -57.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.02 146.73 3.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 110.03 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -133.69 122.37 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.41 -156.6 6.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.64 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 109.915 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -51.87 -61.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.34 171.65 21.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 26' ' ' GLY . 4.6 m -104.17 162.45 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.822 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.3 m -113.12 122.33 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 71' ' ' LEU . 18.5 mt -107.46 123.57 48.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.6 mt -96.33 99.1 10.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 39' ' ' LEU . 11.2 t -77.82 107.51 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.6 mttt -106.56 164.69 11.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 m -125.94 129.43 24.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 87.13 1.35 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 178.65 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 77.94 74.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -146.91 -54.41 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -95.01 128.4 41.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -46.5 158.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -68.53 159.41 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD21 HG23 ' A' ' 42' ' ' VAL . 8.3 tp -128.72 116.04 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.417 1.073 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.822 ' CG ' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -105.73 128.96 54.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 38' ' ' HIS . 1.7 pt? -142.06 171.81 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 t -70.08 160.08 32.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.678 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -148.95 50.71 0.56 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 16.1 t0 -40.81 129.65 2.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 0.705 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -51.14 -20.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.05 -32.18 40.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 14.1 m0 -47.33 170.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.96 131.8 41.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG21 HD11 ' A' ' 70' ' ' LEU . 68.8 t -39.64 -45.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.45 96.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -69.21 -54.75 13.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 0.757 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' LYS . 8.0 tp -39.79 -54.91 2.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.854 ' HG3' HD22 ' A' ' 54' ' ' LEU . 67.2 mttt -38.89 -61.48 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.27 -61.98 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.45 ' CD2' HD12 ' A' ' 24' ' ' LEU . 9.8 t60 -42.26 -43.15 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.018 HD13 HD22 ' A' ' 82' ' ' LEU . 2.1 mt -60.16 -60.19 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.94 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -68.88 -65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.601 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -58.43 -20.21 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -83.55 123.43 76.56 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.3 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.1 mmt-85 70.05 64.09 0.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.97 -170.01 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 2.3 mtp180 -107.57 144.44 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -21.81 15.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -6.62 59.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.21 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -113.63 -41.73 3.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.75 ' OE1' HD21 ' A' ' 82' ' ' LEU . 14.5 mt-30 -43.27 95.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' ASP . 33.4 mtt180 -72.76 109.13 6.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.854 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -92.73 115.03 27.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.05 120.67 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 57' ' ' SER . 11.1 t80 -96.32 -87.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 56.4 p -94.32 54.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.54 -2.69 37.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -116.15 126.92 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.71 145.41 49.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.846 HD22 HD13 ' A' ' 70' ' ' LEU . 46.8 mt -86.29 163.04 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' A' ' 64' ' ' HIS . 95.3 mt -82.78 -90.79 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 174.69 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' CE1' HD13 ' A' ' 62' ' ' LEU . 5.3 p80 -80.0 -23.47 41.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -51.79 152.74 2.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.43 149.28 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.406 HD13 HD11 ' A' ' 10' ' ' LEU . 49.4 mt -69.12 -9.99 55.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -74.26 -35.79 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.41 -49.59 6.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.846 HD13 HD22 ' A' ' 61' ' ' LEU . 14.1 mt -48.02 -68.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 10' ' ' LEU . 20.1 mt -63.63 154.25 80.68 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 175.26 11.47 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -107.84 111.68 23.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 66.22 83.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.07 176.31 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -53.42 175.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 -52.52 -178.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 8' ' ' VAL . 54.4 m-70 -113.06 136.86 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.55 HG13 ' HE3' ' A' ' 13' ' ' LYS . 64.3 t -126.25 106.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.381 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -105.09 161.88 13.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -125.12 101.49 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 39' ' ' LEU . 48.9 tp -94.88 109.49 21.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.1 t -96.48 143.64 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.59 135.44 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -141.53 122.85 14.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.2 134.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.34 -167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.8 90.26 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -47.34 157.17 0.68 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.442 1.759 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t 53.78 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m 55.81 103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.928 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -147.4 -58.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.961 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.69 101.97 5.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.05 102.41 0.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.147 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -89.28 108.38 19.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.998 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -173.04 119.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.48 -162.99 24.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG22 ' O ' ' A' ' 26' ' ' GLY . 28.4 m -109.12 174.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.843 HG23 ' CG ' ' A' ' 23' ' ' GLU . 2.6 m -110.32 115.38 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 78' ' ' HIS . 11.7 mt -106.68 120.24 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD23 ' HE3' ' A' ' 13' ' ' LYS . 12.0 tp -90.73 99.46 12.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.821 HG21 HD21 ' A' ' 39' ' ' LEU . 21.1 t -73.51 96.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HE3' HD23 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -93.61 157.8 16.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.5 104.5 53.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 109.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.3 Cg_endo -75.11 73.43 4.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 15' ' ' PRO . 3.2 m-20 157.86 -55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.41 -46.36 86.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 38.74 74.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 -62.3 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -139.43 146.4 40.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -99.47 154.06 18.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD21 HG23 ' A' ' 42' ' ' VAL . 10.3 tp -124.53 114.6 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.9 tm-20 -104.22 127.21 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -142.4 161.56 37.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 t -63.07 148.72 47.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -137.73 51.86 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 31.7 t70 -39.62 130.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -56.55 -16.85 6.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.376 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.2 -30.99 26.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.385 1.053 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 10.6 m0 -47.88 169.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.2 m -125.58 131.54 52.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.072 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' SER . 53.9 t -38.56 -53.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.73 -41.41 99.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.4 t60 -66.16 -55.29 17.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.54 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 24' ' ' LEU . 8.7 tp -39.34 -59.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG3' HD22 ' A' ' 54' ' ' LEU . 51.9 mttt -39.37 -60.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -47.93 26.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -62.19 -37.31 84.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.083 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -61.89 -60.72 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 59.4 p -38.97 -29.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.31 -69.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 22' ' ' LEU . 27.8 m -52.05 -22.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.535 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.34 125.46 71.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.91 98.19 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 159.32 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.241 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 5.5 mmm180 62.86 59.89 2.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -74.93 -179.2 4.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 4.5 mtt180 -104.05 141.24 22.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 18.1 Cg_endo -75.03 -25.36 11.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -11.35 58.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.69 -34.94 5.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.609 ' CG ' HD11 ' A' ' 82' ' ' LEU . 36.2 mt-30 -46.64 119.68 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.96 107.59 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.903 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.2 mp -92.66 112.62 24.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.69 110.74 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 5.4 t80 -81.93 -9.99 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER 158.19 90.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.16 24.34 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.58 105.82 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.64 151.0 45.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 80' ' ' LEU . 9.3 mt -91.38 166.41 12.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.753 HD12 ' HG3' ' A' ' 65' ' ' GLN . 3.9 mt -109.71 140.77 43.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -62.84 -31.62 72.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.621 ' CE1' HD13 ' A' ' 62' ' ' LEU . 2.5 p-80 -75.29 -14.81 60.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.557 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG3' HD12 ' A' ' 62' ' ' LEU . 1.2 mm100 -87.83 143.38 27.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.95 152.12 21.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.27 -37.59 55.88 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -46.03 -71.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -51.98 -41.54 62.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD21 ' NE2' ' A' ' 65' ' ' GLN . 13.1 mt -64.49 174.76 1.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER 55.3 164.8 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.5 40.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.45 1.763 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -82.94 111.95 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.47 97.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.07 173.1 16.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -171.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -49.74 179.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.517 ' HB2' HD23 ' A' ' 10' ' ' LEU . 79.0 m-70 -123.45 151.53 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.4 t -132.68 110.23 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.3 168.18 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -131.79 104.77 7.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.083 HD22 HD13 ' A' ' 39' ' ' LEU . 45.4 tp -97.12 101.51 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.9 t -85.04 126.5 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.3 t -81.4 140.27 34.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 108.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -154.07 136.1 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.652 HG22 ' H ' ' A' ' 87' ' ' LYS . 1.4 p -128.74 -159.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.652 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 63.14 141.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -118.22 -40.71 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.21 -172.55 42.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 66.92 5.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.9 t -153.93 -60.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.4 t -59.36 149.37 29.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.962 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m 60.0 164.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -170.17 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.03 101.17 0.15 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.573 1.171 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.96 -63.12 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.953 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -138.93 85.96 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.98 -133.13 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 71' ' ' LEU . 5.9 m -127.8 119.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 HG22 ' HG2' ' A' ' 23' ' ' GLU . 5.5 m -77.18 110.53 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 71' ' ' LEU . 29.9 mt -91.73 131.5 37.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 23' ' ' GLU . 1.0 OUTLIER -99.75 101.21 12.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.74 HG21 HD21 ' A' ' 39' ' ' LEU . 40.8 t -74.89 94.47 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.09 164.85 12.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.47 109.29 46.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 71.58 4.91 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.523 1.802 . . . . 0.0 111.066 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -145.66 -47.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -179.12 45.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 6.6 mtt85 38.34 87.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -129.76 104.49 7.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.95 169.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -151.69 158.37 43.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 42' ' ' VAL . 9.6 tp -138.65 112.18 8.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.2 OUTLIER -99.33 113.81 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD22 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -130.72 150.0 52.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 t -48.67 165.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.938 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' O ' ' CD2' ' A' ' 30' ' ' TRP . . . -124.16 -62.57 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' HB3' ' CG ' ' A' ' 30' ' ' TRP . 45.0 t0 68.17 112.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -60.97 -14.34 22.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.32 -25.16 37.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 27' ' ' ASP . 14.8 m0 -53.31 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -142.33 130.73 22.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.671 HG12 ' HE3' ' A' ' 36' ' ' LYS . 88.5 t -39.25 -41.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.76 -45.12 66.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' SER . 23.9 t60 -67.5 -53.79 25.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 54' ' ' LEU . 7.7 tp -39.57 -61.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.671 ' HE3' HG12 ' A' ' 32' ' ' VAL . 81.9 mttt -37.73 -60.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.47 -49.53 61.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CE1' ' CH2' ' A' ' 30' ' ' TRP . 7.2 t60 -56.81 -31.67 64.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.031 HD13 HD22 ' A' ' 82' ' ' LEU . 3.6 mt -70.37 -56.94 5.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.478 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 1.5 t -38.31 -33.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.34 -70.44 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 22' ' ' LEU . 35.0 m -52.18 -23.71 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -82.76 124.12 77.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 111.023 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.03 98.09 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.72 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER 62.68 61.36 2.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.254 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.478 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.11 -162.59 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -113.72 151.92 45.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -21.17 66.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -48.65 7.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.629 ' CB ' HD11 ' A' ' 82' ' ' LEU . 40.1 mt-30 -44.45 123.56 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.65 110.74 21.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.909 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.6 mp -92.46 116.37 28.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.43 116.73 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.0 t80 -109.94 123.99 50.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 56' ' ' TYR . 0.5 OUTLIER 55.16 19.72 3.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.42 9.85 58.67 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 125.3 52.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.6 tm? -74.79 137.62 42.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.758 ' N ' HD22 ' A' ' 60' ' ' LEU . 7.0 mt -92.13 154.43 18.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.745 HD13 ' CE1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -118.96 151.19 38.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.61 -24.35 67.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.745 ' CE1' HD13 ' A' ' 62' ' ' LEU . 4.2 p80 -91.32 43.7 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' CD ' HD21 ' A' ' 70' ' ' LEU . 55.3 mt-30 -145.19 154.19 42.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.366 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.71 153.09 24.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 26' ' ' GLY . 16.6 mt -66.64 -10.21 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -78.94 -56.4 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -63.49 -43.19 97.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD13 HD22 ' A' ' 61' ' ' LEU . 10.4 mt -59.27 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 10' ' ' LEU . 17.9 mt -49.6 146.53 6.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.518 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.5 Cg_endo -74.98 -172.51 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.441 1.758 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 74' ' ' GLN . 1.2 tppt? -86.81 -62.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -63.88 171.51 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 74.16 131.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CD ' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -79.51 -74.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 ' CG ' ' HB ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.7 177.35 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.518 ' CE1' ' HD2' ' A' ' 72' ' ' PRO . 51.0 m-70 -151.97 150.73 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.5 t -110.46 114.27 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -109.04 172.21 6.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -135.66 97.92 3.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.031 HD22 HD13 ' A' ' 39' ' ' LEU . 51.6 tp -88.44 101.73 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -94.23 140.36 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 41.1 t -93.32 131.33 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 108.243 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -95.93 -153.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.6 t -151.68 128.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -81.87 -174.5 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.44 177.41 5.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 110.052 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -42.37 127.84 4.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 m -102.2 169.74 8.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.084 0 O-C-N 124.434 1.084 . . . . 0.0 110.983 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -157.31 141.55 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 m -97.09 151.18 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.22 -71.53 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.587 1.179 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.94 144.4 30.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 0.741 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.96 79.16 5.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.57 -154.5 10.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.556 1.16 . . . . 0.0 111.041 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 26' ' ' GLY . 12.5 m -127.61 172.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.619 HG23 ' HG2' ' A' ' 23' ' ' GLU . 26.1 m -113.48 137.12 52.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.622 HD21 HD11 ' A' ' 71' ' ' LEU . 31.3 mt -120.16 113.8 20.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD23 ' HZ1' ' A' ' 13' ' ' LYS . 11.8 tp -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 39' ' ' LEU . 24.8 t -69.34 101.66 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.707 ' HZ1' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -89.76 165.38 14.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -127.0 90.4 49.58 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 62.25 5.77 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.73 -78.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 tt0 -132.43 -59.27 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -175.84 54.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -85.62 127.51 34.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.639 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.2 159.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.64 155.11 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.242 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.656 HD21 HG23 ' A' ' 42' ' ' VAL . 12.6 tp -128.92 107.85 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.619 ' HG2' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -93.1 123.67 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -137.84 178.01 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -77.59 154.75 32.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.864 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -140.38 50.31 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' GLY . 22.5 t0 -37.59 133.66 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 58.5 mtt85 -61.19 -14.7 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.51 -28.85 18.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' CH2' ' CG ' ' A' ' 38' ' ' HIS . 5.5 m0 -48.13 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.5 m -130.13 134.22 47.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 61' ' ' LEU . 44.6 t -41.41 -49.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.55 95.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 8.3 t-80 -70.46 -53.23 17.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 24' ' ' LEU . 10.2 tp -40.53 -59.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LEU . 95.3 mttt -39.2 -56.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.01 -50.33 47.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.427 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 13.4 t60 -60.71 -42.11 96.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.082 HD13 HD22 ' A' ' 82' ' ' LEU . 3.4 mt -58.57 -66.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.98 -31.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -63.37 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.656 HG23 HD21 ' A' ' 22' ' ' LEU . 33.0 m -63.93 -17.57 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -82.48 124.65 77.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.968 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.98 96.59 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.76 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.61 -31.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 3.8 mmt180 66.02 64.55 0.89 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.91 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.64 146.33 34.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -29.31 8.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.29 -46.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' HB3' HD11 ' A' ' 82' ' ' LEU . 15.7 mt-30 -42.42 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.07 113.69 11.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.2 mp -100.78 107.49 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.483 HD11 HD23 ' A' ' 60' ' ' LEU . 1.7 mp -106.71 108.35 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' N ' ' A' ' 57' ' ' SER . 8.4 t80 -88.72 -88.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.61 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 0.4 OUTLIER -95.55 62.31 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.14 14.2 24.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.34 110.49 11.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 0.828 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 61' ' ' LEU . 1.5 tm? -45.35 145.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.911 ' N ' HD13 ' A' ' 60' ' ' LEU . 10.2 mt -86.63 139.91 30.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' CG ' ' A' ' 65' ' ' GLN . 11.7 mt -70.13 -75.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 162.47 -55.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -63.75 -32.42 73.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' CG ' HD12 ' A' ' 62' ' ' LEU . 26.9 mt-30 -47.49 145.01 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.38 147.68 26.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 10' ' ' LEU . 16.7 mt -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -48.96 -64.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.02 -58.69 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 61' ' ' LEU . 9.1 mt -40.8 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.793 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.5 mt -63.69 146.19 96.96 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.4 Cg_endo -75.06 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.427 1.751 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -121.38 60.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 172.87 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -39.73 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.61 136.92 16.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.442 1.089 . . . . 0.0 109.237 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.95 174.34 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.352 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.793 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.2 m-70 -113.0 135.61 53.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.528 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 11' ' ' LEU . 21.9 t -108.58 118.59 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -111.25 163.05 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -128.74 98.27 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.082 HD22 HD13 ' A' ' 39' ' ' LEU . 45.0 tp -88.96 103.25 15.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.1 t -92.15 140.75 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 142.12 30.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 108.343 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.59 21.92 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.9 p -151.57 121.38 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -128.63 76.14 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.4 t 64.36 -78.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 87' ' ' LYS . . . 126.92 -145.5 15.78 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 73.81 4.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.441 1.758 . . . . 0.0 110.962 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.16 156.08 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.0 p -120.59 97.4 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -131.54 104.22 6.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.4 130.45 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.7 95.64 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.1 p -155.02 151.07 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.55 -57.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.87 -145.45 17.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 71' ' ' LEU . 23.5 m -121.79 162.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.866 HG23 ' CG ' ' A' ' 23' ' ' GLU . 1.8 m -100.76 114.73 28.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.877 HD21 HD11 ' A' ' 71' ' ' LEU . 43.3 mt -100.54 120.19 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.665 HD22 ' HZ1' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -96.0 103.14 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 39' ' ' LEU . 25.1 t -75.84 94.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.754 ' HD2' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -92.38 114.24 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -82.28 114.12 48.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.15 42.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 70.46 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -53.67 -54.34 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 17' ' ' GLN . 10.5 mtt85 38.13 89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -141.51 -60.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.05 145.4 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -100.32 153.81 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 43' ' ' TYR . 8.1 tp -129.55 114.14 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.866 ' CG ' HG23 ' A' ' 9' ' ' THR . 3.7 tm-20 -103.4 128.37 50.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -142.32 167.36 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -66.27 155.59 36.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.829 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -143.4 50.96 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' TRP . 21.7 t70 -38.46 130.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -57.31 -16.24 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.66 -29.49 21.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 5.9 m0 -48.02 172.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' VAL . 7.7 m -130.23 136.87 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' SER . 70.5 t -39.61 -50.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.35 -47.59 86.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -59.59 -42.76 93.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 109.589 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 24' ' ' LEU . 11.6 tp -56.56 -60.05 4.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 54' ' ' LEU . 95.1 mttt -39.48 -58.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.55 48.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.07 -43.85 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.62 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 HD13 HD22 ' A' ' 82' ' ' LEU . 5.0 mt -56.96 -67.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.501 ' CA ' ' HD2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -38.54 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.34 -55.39 9.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' LEU . 22.5 m -71.84 -17.29 19.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -83.12 131.31 54.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.93 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER 157.56 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 55.89 60.29 8.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD2' ' CA ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 7.7 mmt180 -117.48 150.48 46.7 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.18 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.96 89.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.71 -52.39 9.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 15.7 mt-30 -42.56 153.59 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.7 ' HD3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -133.37 123.32 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.694 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.0 mp -103.8 118.62 37.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 mp -120.36 135.54 60.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.794 ' HB3' HD21 ' A' ' 61' ' ' LEU . 7.6 t80 -129.86 104.62 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 2.2 t 83.5 -7.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.82 -8.1 8.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -107.21 130.32 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.791 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -67.93 161.23 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.794 HD21 ' HB3' ' A' ' 56' ' ' TYR . 7.6 mt -106.88 162.39 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 64' ' ' HIS . 8.8 mt -109.53 132.89 53.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -50.89 -22.41 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.498 ' CE1' HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -85.29 -31.87 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 62' ' ' LEU . 65.4 mt-30 -58.61 156.61 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.318 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.5 152.63 35.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 108.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.563 HD13 HD11 ' A' ' 10' ' ' LEU . 22.8 mt -61.54 -44.06 97.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -59.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 70' ' ' LEU . 3.3 t70 -64.9 -58.9 4.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.775 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.1 mt -40.02 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' CD2' ' A' ' 78' ' ' HIS . 6.7 mt -68.29 139.38 92.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.3 Cg_endo -74.94 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -147.51 101.97 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -159.94 -88.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.21 72.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.32 155.06 3.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -168.91 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 71' ' ' LEU . 10.4 m-70 -139.4 130.3 26.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.651 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.754 HG11 ' HD2' ' A' ' 13' ' ' LYS . 72.6 t -109.08 105.05 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.712 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -88.58 164.64 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -128.83 97.06 4.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 HD13 ' A' ' 39' ' ' LEU . 23.3 tp -88.88 99.61 12.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.6 t -85.58 135.4 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.2 t -92.45 161.36 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -92.67 29.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' LYS . 86.5 t 63.87 125.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER 40.41 68.1 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.68 -145.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.1 81.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.6 t -139.29 116.63 11.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.47 161.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -70.69 106.89 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.01 161.44 13.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -80.58 110.8 16.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -84.3 -66.79 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.12 -140.3 15.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 26' ' ' GLY . 6.3 m -119.8 172.08 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.501 HG22 ' HG2' ' A' ' 23' ' ' GLU . 53.9 m -120.71 112.68 19.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.815 HD23 ' HB2' ' A' ' 78' ' ' HIS . 48.7 mt -94.71 132.41 39.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -104.14 100.25 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.08 HG21 HD21 ' A' ' 39' ' ' LEU . 16.8 t -76.2 94.63 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' CE ' HD13 ' A' ' 11' ' ' LEU . 1.4 mttt -94.39 164.87 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -116.41 113.02 41.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 62.67 5.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.564 1.823 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 173.2 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.39 -42.67 82.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 38.65 67.17 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 20' ' ' ARG . 9.1 t-80 -135.59 -81.66 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.614 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' N ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 ttt180 -96.97 149.86 21.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' HB2' HD22 ' A' ' 11' ' ' LEU . 1.6 p30 -118.37 -179.92 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.683 HD21 HG23 ' A' ' 42' ' ' VAL . 9.1 tp -149.15 112.66 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HG2' HG22 ' A' ' 9' ' ' THR . 0.0 OUTLIER -101.84 111.18 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 24' ' ' LEU . 2.1 pt? -128.03 173.54 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.443 ' O ' ' CZ3' ' A' ' 30' ' ' TRP . 13.4 t -74.73 152.08 39.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 27' ' ' ASP . . . -143.45 47.86 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.605 1.19 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 26' ' ' GLY . 33.1 t70 -34.49 134.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -56.77 -15.75 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -87.16 -29.43 22.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 6.8 m0 -45.93 168.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' VAL . 1.5 m -129.3 135.21 48.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 62' ' ' LEU . 4.8 t -38.88 -61.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.01 -43.5 55.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 35' ' ' LEU . 6.1 t60 -64.0 -57.67 9.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 18.8 tp -39.54 -59.07 1.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 109.235 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' HD22 ' A' ' 54' ' ' LEU . 87.7 mttt -39.76 -61.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.88 -44.95 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' HD12 ' A' ' 24' ' ' LEU . 14.5 t60 -64.28 -47.61 78.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.08 HD21 HG21 ' A' ' 12' ' ' VAL . 2.2 mt -51.72 -65.79 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.555 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -37.95 -35.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -68.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 22' ' ' LEU . 28.2 m -55.75 -22.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.27 125.51 83.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 96.29 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 161.69 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.6 OUTLIER 68.4 63.73 0.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.04 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 88' ' ' SER . 1.6 mtt180 -112.56 151.76 44.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.496 1.788 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -50.4 21.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.43 -48.79 80.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.764 ' OE1' HD21 ' A' ' 82' ' ' LEU . 21.5 mt-30 -44.73 119.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HB3' HD11 ' A' ' 55' ' ' ILE . 2.2 mtt180 -106.82 112.79 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.968 ' CD1' HD13 ' A' ' 82' ' ' LEU . 2.5 mp -92.72 114.3 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 53' ' ' ARG . 3.4 mp -115.78 147.08 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.865 ' HB3' HD21 ' A' ' 61' ' ' LEU . 10.2 t80 -145.73 106.46 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 t 77.33 0.25 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.979 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.94 -17.85 19.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 111.067 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 16.2 pttt -89.09 113.16 24.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD22 ' N ' ' A' ' 61' ' ' LEU . 1.3 tm? -59.53 137.34 58.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -86.07 161.81 18.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -121.7 169.88 10.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.24 -40.01 46.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 31.3 p-80 -79.94 53.71 1.74 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -138.18 -179.36 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 146.87 39.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.53 -41.4 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -43.93 -46.15 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' LEU . 2.0 m-20 -80.59 -60.05 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 61' ' ' LEU . 13.1 mt -39.2 -58.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD13 ' CD2' ' A' ' 78' ' ' HIS . 9.0 mt -79.55 142.9 58.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.406 1.066 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 18.2 Cg_endo -75.02 -168.02 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 78.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.7 62.94 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 47.51 -172.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 64.43 138.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.815 ' HB2' HD23 ' A' ' 10' ' ' LEU . 84.3 m-70 -120.75 150.4 41.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.3 t -124.87 111.37 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -108.29 170.2 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -133.29 98.81 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.507 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.032 HD22 HD13 ' A' ' 39' ' ' LEU . 46.6 tp -88.75 106.03 18.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.0 t -96.13 134.9 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.81 151.32 22.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -120.92 -158.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 86' ' ' VAL . 32.6 m -71.08 66.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.06 132.74 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.42 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -89.14 124.11 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -117.2 -151.68 9.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.487 1.783 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.35 164.81 11.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.084 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.91 120.64 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.57 -52.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.744 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m 60.33 153.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 158.84 26.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.556 1.16 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 45.66 87.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.724 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -60.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.951 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.14 -139.67 15.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 26' ' ' GLY . 13.9 m -123.96 163.96 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 22.2 m -105.8 112.8 26.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.415 1.072 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 71' ' ' LEU . 42.7 mt -95.21 124.79 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' HG3' ' A' ' 23' ' ' GLU . 3.6 mt -93.03 98.78 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.875 HG21 HD21 ' A' ' 39' ' ' LEU . 25.6 t -75.66 112.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE3' HG13 ' A' ' 79' ' ' VAL . 3.1 mttt -114.4 165.27 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 t -129.68 131.5 23.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.02 5.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 110.97 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -44.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 78.16 58.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.216 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -47.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 176.61 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -97.2 152.16 19.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.235 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -63.91 164.67 9.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.47 110.69 7.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.528 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -97.01 104.44 16.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.349 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.97 165.75 16.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 t -65.84 161.86 20.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -154.31 49.57 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.147 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 30' ' ' TRP . 20.9 t70 -39.53 129.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -50.36 -20.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.06 -31.89 37.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.455 ' CD1' ' HB3' ' A' ' 27' ' ' ASP . 13.2 m0 -44.58 163.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -123.3 131.97 53.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 61' ' ' LEU . 22.4 t -39.47 -45.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.7 -41.91 88.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' SER . 5.2 t60 -67.62 -53.06 31.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 0.799 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HG ' HD21 ' A' ' 54' ' ' LEU . 6.5 tp -39.77 -58.39 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LEU . 74.8 mttt -38.13 -61.95 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.71 -58.08 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -50.19 -43.71 52.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.135 HD13 HD22 ' A' ' 82' ' ' LEU . 3.3 mt -57.68 -64.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.551 ' CB ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -38.62 -30.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.3 -52.18 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 39' ' ' LEU . 22.7 m -77.5 -15.37 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.45 127.34 63.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 0.3 OUTLIER 160.44 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 22.8 mmm-85 63.91 60.96 1.68 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.551 ' HD2' ' CB ' ' A' ' 40' ' ' SER . 18.1 Cg_endo -75.03 -165.5 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -112.65 151.34 43.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.94 2.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.517 1.798 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.4 43.41 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 110.254 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.8 -45.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' CG ' HD11 ' A' ' 82' ' ' LEU . 50.4 mt-30 -38.94 139.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -108.29 99.12 8.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.881 ' CD1' HD13 ' A' ' 82' ' ' LEU . 1.8 mp -92.84 116.28 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.78 102.01 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.711 ' HB3' HD21 ' A' ' 61' ' ' LEU . 12.2 t80 -82.86 -89.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' A' ' 56' ' ' TYR . 10.8 m -92.92 70.65 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.86 23.32 1.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.01 107.64 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 54' ' ' LEU . 2.3 tp -45.84 134.08 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.925 HD22 HD13 ' A' ' 70' ' ' LEU . 52.0 mt -75.08 166.27 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.35 -107.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.87 -63.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -14.38 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -52.67 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.01 149.54 50.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 108.284 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 30' ' ' TRP . 13.9 mt -68.85 -41.94 77.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -56.36 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -61.94 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD22 ' A' ' 61' ' ' LEU . 14.6 mt -40.5 -70.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 8' ' ' VAL . 11.4 mt -63.36 153.74 81.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.51 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 17.8 Cg_endo -75.09 179.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -67.56 -70.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -110.38 137.79 47.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 178.61 137.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.309 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -139.59 158.27 44.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 71' ' ' LEU . 6.0 m-70 -107.27 143.7 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.577 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG13 ' HE3' ' A' ' 13' ' ' LYS . 46.1 t -112.21 111.71 37.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -105.72 168.3 9.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 33.1 m-70 -130.96 108.16 9.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.591 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.135 HD22 HD13 ' A' ' 39' ' ' LEU . 54.9 tp -103.69 114.83 29.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 36.5 t -113.03 155.16 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.4 p -77.33 144.9 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 108.297 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.36 -154.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.9 p -156.83 130.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 167.01 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.42 92.53 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.24 172.84 37.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.554 1.159 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 166.73 28.44 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.482 1.78 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.4 t -120.61 -57.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.27 125.42 51.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 0 0 . 1 stop_ save_